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Fulltext 1-[4-(Prop-2-en-1-yl-oxy)benz-yl]-2-[4-(prop-2-en-1-yl-oxy)phen-yl]-1H-benzimidazole

Rahman ML, Kwong HC, Mohd Yusoff M, Hegde G, Mohamed Tahir MI

Acta Crystallogr Sect E Struct Rep Online, 2012 Dec 1;68(Pt 12):o3311-2.
PMID: 23476157 DOI: 10.1107/S160053681204559X

In the title compound, C26H24N2O2, the benzimidazole ring system is almost planar [maximum displacement = 0.025 (1) Å] and makes dihedral angles of 80.48 (5) and 41.57 (5)° with the benzene rings, which are inclined to one another by 65.33 (6)°. In the crystal, mol-ecules are linked via C-H⋯π and weak π-π inter-actions [centroid-centroid distance = 3.8070 (7) Å and inter-planar distance = 3.6160 (5) Å].
Fulltext 3-Oxoolean-1-en-28-oic acid-n-hexa-ne-water (4/1/1) from the bark of Walsura pinnata Hassk

Awang K, Yusoff M, Mohamad K, Chong SL, Ng SW

Acta Crystallogr Sect E Struct Rep Online, 2009;65(Pt 5):o1166.
PMID: 21583968 DOI: 10.1107/S1600536809015086

3-Oxoolean-1-en-28-oic acid, isolated from the bark of Walsura pinnata Hassk, crystallized from n-hexane as an n-hexane 0.25-solvent 0.25-hydrate, C(30)H(46)O(3)·0.25C(6)H(14)·0.25H(2)O. There are two independent mol-ecules in the asymmetric unit of the title compound. The three six-membered cyclo-hexane rings in each mol-ecule adopt chair conformations and the carboxyl substituent occupies an axial/equatorial position. The two independent mol-ecules are linked by a pair of O-H(carbox-yl)⋯O hydrogen bonds into a dimer. The n-hexane mol-ecule is disordered about a twofold rotation axis and the water mol-ecule lies on a twofold rotation axis. In addition, the cyclo-hexone carbonyl group of one of the independent mol-ecules is disordered over two sites with occupancies of 0.75 and 0.25.
Fulltext 4-{(E)-2-[4-(But-3-en-1-yl-oxy)phen-yl]diazen-1-yl}benzoic acid

Rahman ML, Kwong HC, Mohd Yusoff M, Hegde G, Mohamed Tahir MI, Rahman MZ

Acta Crystallogr Sect E Struct Rep Online, 2012 Oct 1;68(Pt 10):o2958.
PMID: 23125741 DOI: 10.1107/S1600536812038718

The title compound, C(17)H(16)N(2)O(3), has an E conformation about the azobenzene (-N=N-) linkage. The benzene rings are twisted slightly with respect to each other [6.79 (9)°], while the dihedral angle between the plane through the carb-oxy group and the attached benzene ring is 3.2 (2)°. In the crystal, mol-ecules are oriented with the carb-oxy groups head-to-head, forming O-H⋯O hydrogen-bonded inversion dimers. These dimers are connected by C-H⋯O hydrogen-bonds into layers lying parallel to the (013) plane.
Fulltext 6-(Hex-5-en-yloxy)naphthalene-2-carb-oxy-lic acid

Rahman ML, Srinivasa HT, Mohd Yusoff M, Kwong HC, Quah CK

Acta Crystallogr Sect E Struct Rep Online, 2014 Jun 1;70(Pt 6):o696-7.
PMID: 24940271 DOI: 10.1107/S1600536814010642

The asymmetric unit of the title compound, C17H18O3, comprises three independent mol-ecules with similar geometries. In each mol-ecule, the carbonyl group is twisted away from the napthalene ring system, making dihedral angles of 1.0 (2), 1.05 (19)° and 1.5 (2)°. The butene group in all three mol-ecules are disordered over two sets of sites, with a refined occupancy ratio of 0.664 (6):0.336 (6). In the crystal, mol-ecules are oriented with respect to their carbonyl groups, forming head-to-head dimers via O-H⋯O hydrogen bonds. Adjacent dimers are further inter-connected by C-H⋯O hydrogen bonds into chains along the a-axis direction. The crystal structure is further stabilized by weak C-H⋯π inter-actions.
68Ga-prostate specific membrane antigen-11 PET/CT versus multiparametric MRI in the detection of primary prostate cancer: A systematic review and head-to-head comparative meta-analysis

Ren X, Nur Salihin Yusoff M, Hartini Mohd Taib N, Zhang L, Wang K

Eur J Radiol, 2024 Jan;170:111274.
PMID: 38147764 DOI: 10.1016/j.ejrad.2023.111274

PURPOSE: The goal of this study was to evaluate the effectiveness of two diagnostic methods, 68Ga-PSMA-11 PET/CT and mpMRI, in detecting primary prostate cancer without limitations on the Gleason score.
METHODS: We conducted a comprehensive literature review, searching databases such as PubMed, Embase, and Web of Science until June 2023. Our objective was to identify studies that compared the efficacy of 68Ga-PSMA-11 PET/CT and mpMRI in detecting primary prostate cancer. To determine heterogeneity, the I2 statistic was used. Meta-regression analysis and leave-one-out sensitivity analysis were conducted to identify potential sources of heterogeneity.
RESULTS: Initially, 1286 publications were found, but after careful evaluation, only 16 studies involving 1227 patients were analyzed thoroughly. The results showed that the 68Ga-PSMA-11 PET/CT method had a pooled sensitivity and specificity of 0.87 (95 % CI: 0.80-0.92) and 0.80 (95 % CI: 0.69-0.89), respectively, for diagnosing prostatic cancer. Similarly, the values for mpMRI were determined as 0.84 (95 % CI: 0.75-0.92) and 0.74 (95 % CI: 0.61-0.86), respectively. There were no significant differences in diagnostic effectiveness observed when comparing two primary prostate cancer methodologies (pooled sensitivity P = 0.62, pooled specificity P = 0.50). Despite this, the funnel plots showed symmetry and the Egger test results (P values > 0.05) suggested there was no publication bias.
CONCLUSIONS: After an extensive meta-analysis, it was found that both 68Ga-PSMA-11 PET/CT and mpMRI demonstrate similar diagnostic effectiveness in detecting primary prostate cancer. Future larger prospective studies are warranted to investigate this issue further.
Fulltext A study on the removal of propyl, butyl, and benzyl parabens via newly synthesised ionic liquid loaded magnetically confined polymeric mesoporous adsorbent

Md Yusoff M, Yahaya N, Md Saleh N, Raoov M

RSC Adv, 2018 Jul 16;8(45):25617-25635.
PMID: 35539765 DOI: 10.1039/c8ra03408g

This study investigated the effectiveness of ionic liquids (ILs) loaded onto the surface of a polymeric adsorbent (βCD-TDI) grafted with modified magnetic nanoparticles (MNPs) via an analysis of water treatment, which resulted in high removal of selected endocrine-disrupting chemicals (parabens). The syntheses of MNPs, MNP-βCD-TDI, and IL-MNP-βCD-TDI were characterised and compared using Fourier transform infrared (FT-IR) spectroscopy, carbon-hydrogen-nitrogen (CHN) analysis, vibrating sample magnetometry (VSM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), the Brunauer-Emmett-Teller (BET) method, thermogravimetric analysis (TGA), and X-ray diffraction (XRD). The results of SEM and TEM indicated that the pore size distribution exhibited mesoporous characteristics with a small surface area (BET analysis: 42.95 m2 g-1). Furthermore, a preliminary sorption experiment demonstrated the ability of IL-MNP-βCD-TDI to enhance not only the sorption capacity, but also the removal of propyl paraben (PP), butyl paraben (BP), and benzyl paraben (ArP). The adsorption process appeared to be pH-dependent, and hence the optimum pH of 6 was selected for a subsequent batch adsorption study of all the studied parabens with an equilibrium time of 80 min. Next, in an attempt to investigate the interactions that occur between the adsorbent and the adsorbates, adsorption kinetics and isotherm studies were performed. All the studied parabens were found to best fit pseudo-second-order kinetics and the Freundlich isotherm with R 2 > 0.98 at room temperature (298 K). The interaction of the host-guest inclusion complex and the π-π interaction between βCD and a selected paraben compound (ArP) were identified by performing 1H nuclear magnetic resonance (NMR), together with ultraviolet-visible (UV-vis) spectroscopic analysis. Finally, the adsorption efficiency of the developed material was practically tested on tap water, drain water, and industrial wastewater, which revealed a significant removal of parabens of up to 60-90% in comparison with a prior analysis.
Fulltext Accuracy Analysis of Deep Learning Methods in Breast Cancer Classification: A Structured Review

Yusoff M, Haryanto T, Suhartanto H, Mustafa WA, Zain JM, Kusmardi K

Diagnostics (Basel), 2023 Feb 11;13(4).
PMID: 36832171 DOI: 10.3390/diagnostics13040683

Breast cancer is diagnosed using histopathological imaging. This task is extremely time-consuming due to high image complexity and volume. However, it is important to facilitate the early detection of breast cancer for medical intervention. Deep learning (DL) has become popular in medical imaging solutions and has demonstrated various levels of performance in diagnosing cancerous images. Nonetheless, achieving high precision while minimizing overfitting remains a significant challenge for classification solutions. The handling of imbalanced data and incorrect labeling is a further concern. Additional methods, such as pre-processing, ensemble, and normalization techniques, have been established to enhance image characteristics. These methods could influence classification solutions and be used to overcome overfitting and data balancing issues. Hence, developing a more sophisticated DL variant could improve classification accuracy while reducing overfitting. Technological advancements in DL have fueled automated breast cancer diagnosis growth in recent years. This paper reviewed studies on the capability of DL to classify histopathological breast cancer images, as the objective of this study was to systematically review and analyze current research on the classification of histopathological images. Additionally, literature from the Scopus and Web of Science (WOS) indexes was reviewed. This study assessed recent approaches for histopathological breast cancer image classification in DL applications for papers published up until November 2022. The findings of this study suggest that DL methods, especially convolution neural networks and their hybrids, are the most cutting-edge approaches currently in use. To find a new technique, it is necessary first to survey the landscape of existing DL approaches and their hybrid methods to conduct comparisons and case studies.
Fulltext Anticholinesterase inhibitory activity of quaternary alkaloids from Tinospora crispa

Yusoff M, Hamid H, Houghton P

Molecules, 2014 Jan 20;19(1):1201-11.
PMID: 24448061 DOI: 10.3390/molecules19011201

Quaternary alkaloids are the major alkaloids isolated from Tinospora species. A previous study pointed to the necessary presence of quaternary nitrogens for strong acetylcholinesterase (AChE) inhibitory activity in such alkaloids. Repeated column chromatography of the vine of Tinospora crispa extract led to the isolation of one new protoberberine alkaloid, 4,13-dihydroxy-2,8,9-trimethoxydibenzo[a,g]quinolizinium (1), along with six known alkaloids-dihydrodiscretamine (2), columbamine (3), magnoflorine (4), N-formylannonaine (5), N-formylnornuciferine (6), and N-trans-feruloyltyramine (7). The seven compounds were isolated and structurally elucidated by spectroscopic analysis. Two known alkaloids, namely, dihydrodiscretamine and columbamine are reported for the first time for this plant. The compounds were tested for AChE inhibitory activity using Ellman's method. In the AChE inhibition assay, only columbamine (3) showed strong activity with IC50 48.1 µM. The structure-activity relationships derived from these results suggest that the quaternary nitrogen in the skeleton has some effect, but that a high degree of methoxylation is more important for acetylcholinesterase inhibition.
Application of a new system for classifying root and canal anatomy in studies involving micro-computed tomography and cone beam computed tomography: Explanation and elaboration

Ahmed HMA, Ibrahim N, Mohamad NS, Nambiar P, Muhammad RF, Yusoff M, et al.

Int Endod J, 2021 Jul;54(7):1056-1082.
PMID: 33527452 DOI: 10.1111/iej.13486

Adequate knowledge and accurate characterization of root and canal anatomy is an essential prerequisite for successful root canal treatment and endodontic surgery. Over the years, an ever-increasing body of knowledge related to root and canal anatomy of the human dentition has accumulated. To correct deficiencies in existing systems, a new coding system for classifying root and canal morphology, accessory canals and anomalies has been introduced. In recent years, micro-computed tomography (micro-CT) and cone beam computed tomography (CBCT) have been used extensively to study the details of root and canal anatomy in extracted teeth and within clinical settings. This review aims to discuss the application of the new coding system in studies using micro-CT and CBCT, provide a detailed guide for appropriate characterization of root and canal anatomy and to discuss several controversial issues that may appear as potential limitations for proper characterization of roots and canals.
Aqueous enzymatic extraction of Moringa oleifera oil

Mat Yusoff M, Gordon MH, Ezeh O, Niranjan K

Food Chem, 2016 Nov 15;211:400-8.
PMID: 27283648 DOI: 10.1016/j.foodchem.2016.05.050

This paper reports on the extraction of Moringa oleifera (MO) oil by using aqueous enzymatic extraction (AEE) method. The effect of different process parameters on the oil recovery was discovered by using statistical optimization, besides the effect of selected parameters on the formation of its oil-in-water cream emulsions. Within the pre-determined ranges, the use of pH 4.5, moisture/kernel ratio of 8:1 (w/w), and 300stroke/min shaking speed at 40°C for 1h incubation time resulted in highest oil recovery of approximately 70% (goil/g solvent-extracted oil). These optimized parameters also result in a very thin emulsion layer, indicating minute amount of emulsion formed. Zero oil recovery with thick emulsion were observed when the used aqueous phase was re-utilized for another AEE process. The findings suggest that the critical selection of AEE parameters is key to high oil recovery with minimum emulsion formation thereby lowering the load on the de-emulsification step.
Bacteriostatic effect of Piper betle and Psidium guajava extracts on dental plaque bacteria

Fathilah AR, Rahim ZH, Othman Y, Yusoff M

Pak J Biol Sci, 2009 Mar 15;12(6):518-21.
PMID: 19580002

In this study, the bacteriostatic effect of Piper betle and Psidium guajava extracts on selected early dental plaque bacteria was investigated based on changes in the doubling time (g) and specific growth rates (micro). Streptococcus sanguinis, Streptococcus mitis and Actinomyces sp. were cultured in Brain Heart Infusion (BHI) in the presence and absence of the extracts. The growth of bacteria was monitored periodically every 15 min over a period of 9 h to allow for a complete growth cycle. Growth profiles of the bacteria in the presence of the extracts were compared to those in the absence and deviation in the g and micro were determined and analyzed. It was found that the g and mu were affected by both extracts. At 4 mg mL(-1) of P. betle the g-values for S. sanguinis and S. mitis were increased by 12.0- and 10.4-fold, respectively (p < 0.05). At similar concentration P. guajava increased the g-value by 1.8- and 2.6 -fold, respectively (p < 0.05). The effect on Actinomyces sp. was observed at a much lower magnitude. It appears that P. betle and P. guajava extracts have bacteriostatic effect on the plaque bacteria by creating a stressed environment that had suppressed the growth and propagation of the cells. Within the context of the dental plaque, this would ensure the attainment of thin and healthy plaque. Thus, decoctions of these plants would be suitable if used in the control of dental plaque.
Fulltext Breeding for Anthracnose Disease Resistance in Chili: Progress and Prospects

Ridzuan R, Rafii MY, Ismail SI, Mohammad Yusoff M, Miah G, Usman M

Int J Mol Sci, 2018 Oct 11;19(10).
PMID: 30314374 DOI: 10.3390/ijms19103122

Chili anthracnose is one of the most devastating fungal diseases affecting the quality and yield production of chili. The aim of this review is to summarize the current knowledge concerning the chili anthracnose disease, as well as to explore the use of marker-assisted breeding programs aimed at improving anthracnose disease resistance in this species. This disease is caused by the Colletotrichum species complex, and there have been ongoing screening methods of chili pepper genotypes with resistance to anthracnose in the field, as well as in laboratories. Conventional breeding involves phenotypic selection in the field, and it is more time-consuming compared to molecular breeding. The use of marker-assisted selection (MAS) on the basis of inheritance, the segregation ratio of resistance to susceptibility, and the gene-controlling resistance may contribute to the development of an improved chili variety and speed up the selection process, while also reducing genetic drag in the segregating population. More importantly, by using molecular markers, the linkage groups are determined dominantly and co-dominantly, meaning that the implementation of a reliable method to produce resistant varieties is crucial in future breeding programs. This updated information will offer a supportive direction for chili breeders to develop an anthracnose-resistant chili variety.
Brief Virtual Reality Exposure Therapy and Its Effects on Negative and Positive Emotions Among Healthy Working Adults: A Feasibility Study

Assa'edah Mahmud A, Zakaria H, Zaliman Mohd Yusoff M, Ruzyanei Nik Jaafar N, Baharudin A, Mohd Tamil A

Alpha Psychiatry, 2022 Sep;23(5):223-229.
PMID: 36426271 DOI: 10.5152/alphapsychiatry.2022.21781

BACKGROUND: The primary purpose of this study is to examine the feasibility of a short-term virtual reality exposure therapy among healthy working adults sample. The secondary aim is to measure the effect of virtual reality exposure therapy on negative and positive emotions by comparing it to the standard stress management program and the wait-list groups.
METHODS: We enrolled 67 participants allocated into 3 groups to receive virtual reality exposure therapy, standard stress management, or wait-list group. The virtual reality exposure therapy group received a total of a 30-minute exposure to a virtual reality environment over 2 weeks. The standard stress management group received a stress management program once during the study period.
RESULTS: The results showed a heterogeneous sample, whereby a significantly younger, less-working years, and higher anxiety baseline score were found in the virtual reality exposure therapy group compared to standard stress management and wait-list groups. Nonetheless, the virtual reality exposure therapy group showed a reduction in depression, anxiety, and stress score (P < .001). The standard stress management group showed a reduction in anxiety score only (P = .002), whereas no significant changes were observed in the wait-list group. For positive emotion, all 3 groups showed significant improvement.
CONCLUSION: Short-term virtual reality exposure therapy is a feasible intervention for the negative and positive emotions; however, cautious interpretation is needed due to significant heterogeneous sample. Replication of study with comparable groups is recommended.
Fulltext Changes in 3-, 2-Monochloropropandiol and Glycidyl Esters during a Conventional Baking System with Addition of Antioxidants

Goh KM, Wong YH, Abas F, Lai OM, Mat Yusoff M, Tan TB, et al.

Foods, 2020 Jun 04;9(6).
PMID: 32512737 DOI: 10.3390/foods9060739

Shortening derived from palm oil is widely used in baking applications. However, palm oil and the related products are reported to contain high levels of monochloropropandiol (MCPD) ester and glycidyl ester (GE). MCPD and glycidol are known as process contaminants, which are carcinogenic and genotoxic compounds, respectively. The objective was to evaluate the effects of antioxidant addition in palm olein and stearin to the content of MCPD esters and GE in baked cake. Butylated hydroxyanisole (BHA), rosemary extract and tocopherol were used to fortify the samples at 200 mg/kg and in combinations (400, 600 and 800 mg/kg rosemary or tocopherol combined with 200 mg/kg BHA). The MCPD esters and GE content, radical formation and the quality of the fats portion were analyzed. The results showed that palm olein fortified with rosemary extract yielded less 2-MCPD ester. The GE content was lower when soft stearin was fortified with rosemary. ESR spectrometry measurements showed that the antioxidants were effective to reduce radical formation. The synergistic effects of combining antioxidants controlled the contaminants formation. In conclusion, oxidation stability was comparable either in the single or combined antioxidants. Tocopherol in combination with BHA was more effective in controlling the MCPD esters and GE formation.
Fulltext Characterization data of titanate compounds synthesized using hydrothermal method at various temperature

Razali MH, Ismail NA, Osman UM, Rozaini MZH, Yusoff M

Data Brief, 2020 Feb;28:104992.
PMID: 31890823 DOI: 10.1016/j.dib.2019.104992

Titanate compounds was synthesized using hydrothermal method at various temperature (100, 150, 200, and 250 °C) for 24 hours. As-synthesized titanate was characterized using FTIR, XRD and nitrogen gas adsorption. FTIR spectra was scanned from 4000 to 400 cm-1 using Perkin Elmer Spectrum 100 FTIR spectrophotometer. XRD diffractogram was performed by using Rigaku Miniflex (II) X-ray diffractometer operating at a scanning rate of 2.00° min-1. The diffraction spectra were recorded at the diffraction angle, 2θ from 10° to 80° at room temperature. Nitrogen gas adsorption analysis was studied by using Micromeritics ASAP2020 (Alaska) to determine the surface area and pores size distribution. The nitrogen adsorption and desorption was measured at 77 K (temperature of liquid nitrogen) and the samples were degassed in a vacuum at 110 °C under nitrogen flow for overnight prior to analysis.
Fulltext Corrigendum to "Inventory and composting of yard waste in Serdang, Selangor, Malaysia" [Heliyon 6 (7) (July 2020) 04486]

Abdul Rahman MH, Sadi T, Ahmad AA, Masri IN, Mohammad Yusoff M, Kamaruddin H, et al.

Heliyon, 2020 Aug;6(8):e04748.
PMID: 32885080 DOI: 10.1016/j.heliyon.2020.e04748

[This corrects the article DOI: 10.1016/j.heliyon.2020.e04486.].
Fulltext Crystal structure of (E)-4-{2-[4-(all-yloxy)phen-yl]diazen-yl}benzoic acid

Rahman ML, Mohd Yusoff M, Ismail J, Kwong HC, Quah CK

Acta Crystallogr Sect E Struct Rep Online, 2014 Dec 01;70(Pt 12):499-502.
PMID: 25552976 DOI: 10.1107/S1600536814023745

The title compound, C16H14N2O3, has an E conformation about the azo-benzene [-N=N- = 1.2481 (16) Å] linkage. The benzene rings are almost coplanar [dihedral angle = 1.36 (7)°]. The O atoms of the carb-oxy-lic acid group are disordered over two sets of sites and were refined with an occupancy ratio of 0.5:0.5. The two disordered components of the carb-oxy-lic acid group make dihedral angles of 1.5 (14) and 3.8 (12)° with the benzene ring to which they are attached. In the crystal, mol-ecules are linked via pairs of O-H⋯O hydrogen bonds, forming inversion dimers. The dimers are connected via C-H⋯O hydrogen bonds, forming ribbons lying parallel to [120]. These ribbons are linked via C-H⋯π inter-actions, forming slabs parallel to (001).
Fulltext Crystal structure of 3-{5-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]-1H-pyrazol-1-yl}indolin-2-one ethanol monosolvate

Rahman ML, Kulkarni AD, Mohd Yusoff M, Kwong HC, Quah CK

Acta Crystallogr E Crystallogr Commun, 2016 Mar 01;72(Pt 3):283-6.
PMID: 27006787 DOI: 10.1107/S2056989016001614

The title indolin-2-one compound, C28H23FN4O·C2H6O, crystallizes as a 1:1 ethanol solvate. The ethanol mol-ecule is disordered over two positions with refined site occupancies of 0.560 (14) and 0.440 (14). The pyrazole ring makes dihedral angles of 84.16 (10) and 85.33 (9)° with the indolin-2-one and indole rings, respectively, whereas the dihedral angle between indolin-2-one and indole rings is 57.30 (7)°. In the crystal, the components are linked by N-H⋯O and O-H⋯O hydrogen bonds, forming an inversion mol-ecule-solvate 2:2 dimer with R 4 (4)(12) ring motifs. The crystal structure is consolidated by π-π inter-action between pairs of inversion-related indolin-2-one rings [inter-planar spacing = 3.599 (2) Å].
Fulltext Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-1H-1,2,4-triazole-5(4H)-thione

Kulkarni AD, Rahman ML, Mohd Yusoff M, Kwong HC, Quah CK

Acta Crystallogr E Crystallogr Commun, 2015 Dec 01;71(Pt 12):1525-7.
PMID: 26870420 DOI: 10.1107/S205698901502201X

The asymmetric unit of the titled compound, C22H20FN5S, comprises two independent mol-ecules (A and B), both of which have a trans conformation with respect to the methene C=C [1.342 (2) and 1.335 (2) Å] and the acyclic N=C [1.283 (2) and 1.281 (2) Å] bonds. In mol-ecule A, the triazole ring makes dihedral angles of 55.01 (12) and 18.17 (9)° with the benzene and indole rings, respectively. The corresponding dihedral angles for mol-ecule B are 54.54 (11) and 14.60 (10)°, respectively. In the crystal, mol-ecules are consolidated into -A-B-A-B- chains along [010] via N-H⋯N hydrogen bonds. The chains are further linked into layers parallel to the ac plane via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distances = 3.3436 (11)-3.4792 (13) Å].
Fulltext Crystal structure of 4-({(1E,2E)-3-[3-(4-fluoro-phen-yl)-1-isopropyl-1H-indol-2-yl]allyl-idene}amino)-5-methyl-1H-1,2,4-triazole-5(4H)-thione

Kulkarni AD, Rahman ML, Mohd Yusoff M, Kwong HC, Quah CK

Acta Crystallogr E Crystallogr Commun, 2015 Nov 1;71(Pt 11):1411-3.
PMID: 26594522 DOI: 10.1107/S2056989015020101

The title compound, C23H22FN5S, exists in a trans conformation with respect to the methene C=C and the acyclic N=C bonds. The 1,2,4-triazole-5(4H)-thione ring makes dihedral angles of 88.66 (9) and 84.51 (10)°, respectively, with the indole and benzene rings. In the crystal, mol-ecules are linked by pairs of N-H⋯S hydrogen bonds, forming inversion dimers with an R 2 (2)(8) ring motif. The dimers are linked via C-H⋯π inter-actions, forming chains along [1-10]. The chains are linked via π-π inter-actions involving inversion-related triazole rings [centroid-centroid distance = 3.4340 (13) Å], forming layers parallel to the ab plane.

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