Browse publications by year: 2014

  1. Fun HK, Kobkeatthawin T, Ruanwas P, Quah CK, Chantrapromma S
    Acta Crystallogr Sect E Struct Rep Online, 2014 Jan 1;70(Pt 1):o11-2.
    PMID: 24526963 DOI: 10.1107/S1600536813032509
    In the structure of the title salt, C20H20NO(+)·C6H4FO3S(-), the 4-(eth-oxy-phen-yl)ethenyl unit is disordered over two positions with a refined site-occupancy ratio of 0.610 (6):0.390 (6). The cation is nearly planar, the dihedral angle between the quinolinium and benzene rings being 6.7 (4) and 1.7 (7)° for the major and minor components, respectively. The eth-oxy group is essentially coplanar with the benzene ring [C-O-C-Cmethy = 177.1 (8) and 177.8 (12)° for the major and minor components, respectively]. In the crystal, cations and anions are linked into chains along the b-axis direction by C-H⋯Osulfon-yl weak inter-actions. These chains are further connected into sheets parallel to (001) by C-H⋯Osulfon-yl weak inter-actions. The chains are also stacked along the a axis through π-π inter-actions involving the quinolinium and benzene rings [centroid-centroid distances = 3.636 (5) Å for the major component and 3.800 (9) Å for the minor component]. C-H⋯π inter-actions are also present.
  2. El-Emam AA, Al-Tuwaijri HM, Al-Abdullah ES, Chidan Kumar CS, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2014 Jan 01;70(Pt 1):o25-6.
    PMID: 24526973 DOI: 10.1107/S1600536813032789
    In the title compound, C26H37N5OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the mol-ecule. An intra-molecular C-H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure features C-H⋯π inter-actions, producing a two-dimensional supramolecular architecture.
  3. Yamin BM, Sapari S, Hasbullah SA
    PMID: 24526980 DOI: 10.1107/S1600536813032881
    In the title compound, C12H14Cl2N2O2S, the mol-ecule adopts a cis conformation with respect to the di-chloro-benzoyl group against the thiono group about the C-N bond. However, the di-chloro-benzene group and the thio-urea moiety are twisted by 75.41 (8)°. An intra-molecular N-H⋯O hydrogen bond occurs between the amido H atom and hydroxyl O atom. In the crystal, O-H⋯S and O-H⋯O hydrogen bonds link the molecules, forming chains along the b-axis direction.
  4. Yamin BM, Soh SK, Yusoff SF
    PMID: 24526981 DOI: 10.1107/S1600536813032662
    The title compound, C10H9Cl2N3O3S, adopts a trans-cis conformation with respect to the position of chloropropionyl and chloronitrobenzene groups respectively, against the thiono about their C-N bonds. The conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond. In the crystal, there is a short Cl⋯Cl contact with a distance of 3.386 (13) Å.
  5. Kaewmanee N, Chantrapromma S, Boonnak N, Quah CK, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2014 Jan 1;70(Pt 1):o62-3.
    PMID: 24527001 DOI: 10.1107/S1600536813032996
    There are two independent mol-ecules in the asymmetric unit of the title compound, C16H17NO4, with similar conformations but some differences in their bond angles. Each mol-ecule adopts a trans configuration with respect to the methyl-idene C=N bond and is twisted with a dihedral angle between the two substituted benzene rings of 80.52 (7)° in one mol-ecule and 83.53 (7)° in the other. All meth-oxy groups are approximately coplanar with the attached benzene rings, with Cmeth-yl-O-C-C torsion angles ranging from -6.7 (2) to 5.07 (19)°. In the crystal, independent mol-ecules are linked together by O-H⋯N and O-H⋯O hydrogen bonds and a π-π inter-action [centroid-centroid distance of 3.6030 (9) Å], forming a dimer. The dimers are further linked by weak C-H⋯O inter-actions and another π-π inter-action [centroid-centroid distance of 3.9452 (9) Å] into layers lying parallel to the ab plane.
  6. Fun HK, Chantrapromma S, Ruanwas P, Kobkeatthawin T, Chidan Kumar CS
    Acta Crystallogr Sect E Struct Rep Online, 2014 Jan 1;70(Pt 1):o89-90.
    PMID: 24527018 DOI: 10.1107/S1600536813033989
    The mol-ecule of the title hydrazine derivative, C15H14N4O6, is essentially planar, the dihedral angle between the substituted benzene rings being 2.25 (9)°. The eth-oxy and hy-droxy groups are almost coplanar with their bound benzene ring [r.m.s. deviation = 0.0153 (2) Å for the ten non-H atoms]. Intra-molecular N-H⋯O and O-H⋯Oeth-oxy hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal, mol-ecules are linked by O-H⋯Onitro hydrogen bonds into chains propagating in [010]. Weak aromatic π-π inter-actions, with centroid-centroid distances of 3.8192 (19) and 4.0491 (19) Å, are also observed.
  7. Chan AS, Danquah MK, Agyei D, Hartley PG, Zhu Y
    J Anal Methods Chem, 2014;2014:175457.
    PMID: 24527255 DOI: 10.1155/2014/175457
    A microchip pressure-driven liquid chromatographic system with a packed column has been designed and fabricated by using poly(dimethylsiloxane) (PDMS). The liquid chromatographic column was packed with mesoporous silica beads of Ia3d space group. Separation of dyes and biopolymers was carried out to verify the performance of the chip. A mixture of dyes (fluorescein and rhodamine B) and a biopolymer mixture (10 kDa Dextran and 66 kDa BSA) were separated and the fluorescence technique was employed to detect the movement of the molecules. Fluorescein molecule was a nonretained species and rhodamine B was attached onto silica surface when dye mixture in deionized water was injected into the microchannel. The retention times for dextran molecule and BSA molecule in biopolymer separation experiment were 45 s and 120 s, respectively. Retention factor was estimated to be 3.3 for dextran and 10.4 for BSA. The selectivity was 3.2 and resolution was 10.7. Good separation of dyes and biopolymers was achieved and the chip design was verified.
  8. Abdul Khalil K, Mustafa S, Mohammad R, Bin Ariff A, Shaari Y, Abdul Manap Y, et al.
    Biomed Res Int, 2014;2014:787989.
    PMID: 24527457 DOI: 10.1155/2014/787989
    This study was undertaken to optimize skim milk and yeast extract concentration as a cultivation medium for optimal Bifidobacteria pseudocatenulatum G4 (G4) biomass and β -galactosidase production as well as lactose and free amino nitrogen (FAN) balance after cultivation period. Optimization process in this study involved four steps: screening for significant factors using 2(3) full factorial design, steepest ascent, optimization using FCCD-RSM, and verification. From screening steps, skim milk and yeast extract showed significant influence on the biomass production and, based on the steepest ascent step, middle points of skim milk (6% wt/vol) and yeast extract (1.89% wt/vol) were obtained. A polynomial regression model in FCCD-RSM revealed that both factors were found significant and the strongest influence was given by skim milk concentration. Optimum concentrations of skim milk and yeast extract for maximum biomass G4 and β -galactosidase production meanwhile low in lactose and FAN balance after cultivation period were 5.89% (wt/vol) and 2.31% (wt/vol), respectively. The validation experiments showed that the predicted and experimental values are not significantly different, indicating that the FCCD-RSM model developed is sufficient to describe the cultivation process of G4 using skim-milk-based medium with the addition of yeast extract.
    MeSH terms: Animals; Bifidobacterium/growth & development*; Bifidobacterium/metabolism*; Biotechnology/methods*; Culture Media/metabolism; Culture Media/chemistry*; Milk; Research Design*; Yeasts; Reproducibility of Results; Models, Statistical; Biomass
  9. Saleh A, Kong YH, Vengu N, Badrudeen H, Zain RB, Cheong SC
    Asian Pac J Cancer Prev, 2014;15(1):229-37.
    PMID: 24528031
    BACKGROUND: Dentists are typically the first professionals who are approached to treat ailments within the oral cavity. Therefore they should be well-equipped in detecting suspicious lesions during routine clinical practice. This study determined the levels of knowledge on early signs and risk factors associated with oral cancer and identified which factors influenced dentist participation in prevention and early detection of oral cancer.

    MATERIALS AND METHODS: A survey on dentists' knowledge and their practices in prevention and early detection of oral cancer was conducted using a 26-item self-administered questionnaire.

    RESULTS AND CONCLUSIONS: A response rate of 41.7% was achieved. The level of knowledge on early signs and risk habits associated with oral cancer was high and the majority reported to have conducted opportunistic screening and advised patients on risk habit cessation. Factors that influenced the dentist in practising prevention and early detection of oral cancer were continuous education on oral cancer, age, nature of practice and recent graduation. Notably, dentists were receptive to further training in the area of oral cancer detection and cessation of risk habits. Taken together, the study demonstrated that the dental clinic is a good avenue to conduct programs on opportunistic screening, and continuous education in these areas is necessary to adequately equip dentists in running these programs. Further, this study also highlighted knowledge deficits and practice shortcomings which will help in planning and developing programs that further encourage better participation of dentists in prevention and early detection of oral cancer.

    MeSH terms: Adult; Aged; Aged, 80 and over; Dentists/psychology*; Education, Dental, Continuing; Female; Humans; Health Knowledge, Attitudes, Practice*; Malaysia; Male; Middle Aged; Mouth Neoplasms/diagnosis*; Surveys and Questionnaires; Risk Factors; Health Behavior; Professional Role/psychology*; Directive Counseling; Early Detection of Cancer*
  10. Liam CK, Leow HR, How SH, Pang YK, Chua KT, Lim BK, et al.
    Asian Pac J Cancer Prev, 2014;15(1):321-6.
    PMID: 24528049
    BACKGROUND: Mutations in the tyrosine kinase domain of the epidermal growth factor receptor (EGFR) in non- small cell lung cancer (NSCLC) are predictive of response to EGFR-targeted therapy in advanced stages of disease. This study aimed to determine the frequency of EGFR mutations in NSCLCs and to correlate their presence with clinical characteristics in multiethnic Malaysian patients.

    MATERIALS AND METHODS: In this prospective study, EGFR mutations in exons 18, 19, 20 and 21 in formalin-fixed paraffin-embedded biopsy specimens of consecutive NSCLC patients were asessed by real-time polymerase chain reaction.

    RESULTS: EGFR mutations were detected in NSCLCs from 55 (36.4%) of a total of 151 patients, being significantly more common in females (62.5%) than in males (17.2%) [odds ratio (OR), 8.00; 95% confidence interval (CI), 3.77-16.98; p<0.001] and in never smokers (62.5%) than in ever smokers (12.7%) (OR, 11.50; 95%CI, 5.08-26.03; p<0.001). Mutations were more common in adenocarcinoma (39.4%) compared to non-adenocarcinoma NSCLCs (15.8%) (p=0.072). The mutation rates in patients of different ethnicities were not significantly different (p=0.08). Never smoking status was the only clinical feature that independently predicted the presence of EGFR mutations (adjusted OR, 5.94; 95%CI, 1.94- 18.17; p=0.002).

    CONCLUSIONS: In Malaysian patients with NSCLC, the EGFR mutation rate was similar to that in other Asian populations. EGFR mutations were significantly more common in female patients and in never smokers. Never smoking status was the only independent predictor for the presence of EGFR mutations.

    MeSH terms: Adenocarcinoma/genetics*; Adult; Aged; Aged, 80 and over; Carcinoma, Non-Small-Cell Lung/ethnology; Carcinoma, Non-Small-Cell Lung/genetics*; Exons; Female; Humans; Lung Neoplasms/ethnology; Lung Neoplasms/genetics*; Malaysia; Male; Middle Aged; Mutation; Prospective Studies; Sex Factors; Smoking/genetics*; Asian Continental Ancestry Group/genetics*; Mutation Rate; ErbB Receptors/genetics*
  11. Yaw YH, Shariff ZM, Kandiah M, Weay YH, Saibul N, Sariman S, et al.
    Asian Pac J Cancer Prev, 2014;15(1):39-44.
    PMID: 24528062
    BACKGROUND: This study aimed to provide an overview of lifestyle changes after breast cancer diagnosis and to examine the relationship between dietary and physical activity changes with weight changes in breast cancer patients. Women with breast carcinomas (n=368) were recruited from eight hospitals and four breast cancer support groups in peninsular Malaysia. Dietary and physical activity changes were measured from a year preceding breast cancer diagnosis to study entry. Mean duration since diagnosis was 4.86±3.46 years. Dietary changes showed that majority of the respondents had decreased their intake of high fat foods (18.8-65.5%), added fat foods (28.3-48.9%), low fat foods (46.8-80.7%), red meat (39.7%), pork and poultry (20.1-39.7%) and high sugar foods (42.1-60.9%) but increased their intake of fish (42.7%), fruits and vegetables (62.8%) and whole grains (28.5%). Intake of other food groups remained unchanged. Only a small percentage of the women (22.6%) had increased their physical activity since diagnosis where most of them (16.0%) had increased recreational activities. Age at diagnosis (β= -0.20, p= 0.001), and change in whole grain (β= -0.15, p= 0.003) and fish intakes (β= 0.13, p= 0.013) were associated with weight changes after breast cancer diagnosis. In summary, the majority of the women with breast cancer had changed their diets to a healthier one. However, many did not increase their physical activity levels which could improve their health and lower risk of breast cancer recurrence.
    MeSH terms: Adult; Body Weight/physiology*; Breast Neoplasms/diagnosis; Breast Neoplasms/physiopathology*; Carcinoma/diagnosis; Carcinoma/physiopathology*; Edible Grain; Diet*; Dietary Fats; Female; Fruit; Humans; Life Style; Longitudinal Studies; Malaysia; Meat; Middle Aged; Motor Activity*; Surveys and Questionnaires; Vegetables; Health Behavior
  12. Asmaa MJ, Al-Jamal HA, Ang CY, Asan JM, Seeni A, Johan MF
    Asian Pac J Cancer Prev, 2014;15(1):475-81.
    PMID: 24528077
    BACKGROUND: Pereskia sacharosa is a genus of cacti widely used in folk medicine for cancer-related treatment. Anti-proliferative effects have been studied in recent years against colon, breast, cervical and lung cancer cell lines, with promising results. We here extended study of anti-proliferative effects to a blood malignancy, leukemia.

    MATERIALS AND METHODS: Two leukemic cell lines, MV4-11 (acute myeloid leukemia) and K562 (chronic myeloid leukemia), were studied. IC50 concentrations were determined and apoptosis and cell cycle regulation were studied by flow cytometric analysis. The expression of apoptosis and cell-cycle related regulatory proteins was assessed by Western blotting.

    RESULTS: P sacharosa inhibited growth of MV4-11 and K562 cells in a dose-dependent manner. The mode of cell death was via induction of intrinsic apoptotic pathways and cell cycle arrest. There was profound up-regulation of cytochrome c, caspases, p21 and p53 expression and repression of Akt and Bcl-2 expression in treated cells.

    CONCLUSIONS: These results suggest that P sacharosa induces leukemic cell death via apoptosis induction and changes in cell cycle checkpoint, thus deserves further study for anti-leukemic potential.

    MeSH terms: Dose-Response Relationship, Drug; Humans; Plant Extracts/pharmacology*; Signal Transduction/drug effects; Leukemia, Myeloid, Acute/drug therapy; Up-Regulation; Tumor Suppressor Protein p53/metabolism; Apoptosis/drug effects*; Plant Leaves; Proto-Oncogene Proteins c-bcl-2/metabolism; K562 Cells; Inhibitory Concentration 50; Caspases/metabolism; Cactaceae*; Cytochromes c/metabolism; Cell Proliferation/drug effects; Cyclin-Dependent Kinase Inhibitor p21/metabolism; Proto-Oncogene Proteins c-akt/metabolism; Cell Cycle Checkpoints/drug effects
  13. Atmawidjaja RW, Wong SW, Yang WW, Ong LC
    Dev Med Child Neurol, 2014 Jul;56(7):681-5.
    PMID: 24528212 DOI: 10.1111/dmcn.12399
    The aim of the study was to compare the frequency and type of sleep disturbances in a group of Malaysian children aged 4 to 18 years with cerebral palsy (CP) with their nearest-age, able-bodied siblings and to identify factors associated with sleep disturbances.
    MeSH terms: Adolescent; Age Factors; Cerebral Palsy/complications*; Child; Child, Preschool; Female; Humans; Malaysia; Male; Surveys and Questionnaires; Regression Analysis; Severity of Illness Index; Sleep Wake Disorders/diagnosis; Sleep Wake Disorders/etiology*; Case-Control Studies; Caregivers/psychology
  14. Vaithilingam RD, Safii SH, Baharuddin NA, Ng CC, Cheong SC, Bartold PM, et al.
    J Periodontal Res, 2014 Dec;49(6):683-95.
    PMID: 24528298 DOI: 10.1111/jre.12167
    Studies to elucidate the role of genetics as a risk factor for periodontal disease have gone through various phases. In the majority of cases, the initial 'hypothesis-dependent' candidate-gene polymorphism studies did not report valid genetic risk loci. Following a large-scale replication study, these initially positive results are believed to be caused by type 1 errors. However, susceptibility genes, such as CDKN2BAS (Cyclin Dependend KiNase 2B AntiSense RNA; alias ANRIL [ANtisense Rna In the Ink locus]), glycosyltransferase 6 domain containing 1 (GLT6D1) and cyclooxygenase 2 (COX2), have been reported as conclusive risk loci of periodontitis. The search for genetic risk factors accelerated with the advent of 'hypothesis-free' genome-wide association studies (GWAS). However, despite many different GWAS being performed for almost all human diseases, only three GWAS on periodontitis have been published - one reported genome-wide association of GLT6D1 with aggressive periodontitis (a severe phenotype of periodontitis), whereas the remaining two, which were performed on patients with chronic periodontitis, were not able to find significant associations. This review discusses the problems faced and the lessons learned from the search for genetic risk variants of periodontitis. Current and future strategies for identifying genetic variance in periodontitis, and the importance of planning a well-designed genetic study with large and sufficiently powered case-control samples of severe phenotypes, are also discussed.
    MeSH terms: Humans; Periodontitis/classification; Periodontitis/genetics*; Phenotype; Polymorphism, Genetic/genetics; Genetic Variation/genetics*; Case-Control Studies; Genetic Predisposition to Disease/genetics; Genome-Wide Association Study*
  15. Yusoff MS, Hadie SN, Abdul Rahim AF
    Med Educ, 2014 Feb;48(2):108-10.
    PMID: 24528391 DOI: 10.1111/medu.12403
    MeSH terms: Clinical Competence*; Cooperative Behavior*; Education, Medical, Undergraduate/methods*; Educational Measurement/methods*; Humans; Patient Care Team*; Students, Medical/psychology*
  16. Atif M, Sulaiman SA, Shafie AA, Asif M, Sarfraz MK, Low HC, et al.
    PMID: 24528499 DOI: 10.1186/1477-7525-12-19
    At present, much of the attention within tuberculosis (TB) management is spent on microbiological cure, and its impact on health-related quality of life (HRQoL) is either undervalued or seldom considered. The aim of this study was to evaluate the impact of TB treatment on HRQoL of new smear positive pulmonary tuberculosis (PTB) patients. Moreover, we also aimed to determine whether the selected socio-demographic and clinical variables were predictive of variability in the HRQoL scores over time.
    MeSH terms: Alcoholism/epidemiology; Analysis of Variance; Female; Follow-Up Studies; Health Status Indicators*; Humans; Longitudinal Studies; Malaysia/epidemiology; Male; Middle Aged; Prospective Studies; Quality of Life*; Surveys and Questionnaires; Smoking/epidemiology; Socioeconomic Factors; Tuberculosis, Pulmonary/diagnosis; Tuberculosis, Pulmonary/therapy*
  17. Hadibarata T, Kristanti RA
    Fungal Biol, 2014 Feb;118(2):222-7.
    PMID: 24528643 DOI: 10.1016/j.funbio.2013.11.013
    The white-rot fungus Pleurotus eryngii F032 showed the capability to degrade a three fused-ring aromatic hydrocarbons fluorene. The elimination of fluorene through sorption was also investigated. Enzyme production is accompanied by an increase in biomass of P. eryngii F032 during degradation process. The fungus totally degraded fluorine within 23 d at 10-mg l(-1) solution. Fluorene degradation was affected with initial fluorene concentrations. The highest enzyme activity was shown by laccase in the 10-mg l(-1) culture after 30 d of incubation (1620 U l(-1)). Few activities of enzymes were observed in the fungal cell at the varying concentration of fluorene. Three metabolic were detected and separated in ethylacetate extract, after isolated by column chromatography. The metabolites, 9-fluorenone, phthalic acid, and benzoic acid were identified using UV-vis spectrophotometer and gas chromatography-mass spectrometry (GC-MS). The results show the presence of a complex mechanism for the regulation of fluorene-degrading enzymes.
    MeSH terms: Biotransformation; Enzymes/analysis; Fluorenes/metabolism*; Gas Chromatography-Mass Spectrometry; Spectrophotometry, Ultraviolet; Pleurotus/metabolism*; Metabolic Networks and Pathways
  18. Haafiz MK, Hassan A, Zakaria Z, Inuwa IM
    Carbohydr Polym, 2014 Mar 15;103:119-25.
    PMID: 24528708 DOI: 10.1016/j.carbpol.2013.11.055
    The objective of this study is to compare the effect of two different isolation techniques on the physico-chemical and thermal properties of cellulose nanowhiskers (CNW) from oil palm biomass obtained microcrystalline cellulose (MCC). Fourier transform infrared analysis showed that there are no significant changes in the peak positions, suggesting that the treatments did not affect the chemical structure of the cellulose fragment. Scanning electron microscopy showed that the aggregated structure of MCC is broken down after treatment. Transmission electron microscopy revealed that the produced CNW displayed a nanoscale structure. X-ray diffraction analysis indicated that chemical swelling improves the crystallinity of MCC while maintaining the cellulose I structure. Acid hydrolysis however reduced the crystallinity of MCC and displayed the coexistence of cellulose I and II allomorphs. The produced CNW is shown to have a good thermal stability and hence is suitable for a range of applications such as green biodegradable nanocomposites reinforced with CNW.
    MeSH terms: Cellulose/isolation & purification*; Cellulose/chemistry*; Crystallization; Fruit/chemistry; Particle Size; Plant Oils/chemistry*; Surface Properties; Spectroscopy, Fourier Transform Infrared; Biomass; Microscopy, Electron, Transmission; Nanocomposites/chemistry*
  19. Wei W, Jiang N, Mei YN, Chu YL, Ge HM, Song YC, et al.
    Phytochemistry, 2014 Apr;100:103-9.
    PMID: 24529576 DOI: 10.1016/j.phytochem.2014.01.003
    In searching for symbionts derived from bioactive natural products, six sulfureous diketopiperazines designated as lasiodiplines A-F (1-6) were characterized from the culture of Lasiodiplodia pseudotheobromae F2, previously residing in the apparently normal flower of Illigera rhodantha (Hernandiaceae). Identification of structures was accomplished by a combination of spectroscopic and computational approaches, in conjunction with the low-temperature (100K) single-crystal X-ray diffraction with Cu Kα radiation. Lasiodipline E (5) was demonstrated to be antibacterial against the clinical strains Streptococcus sp., Bacteroides vulgates, Peptostreptococcus sp. and Veillonella parvula, respectively, with an minimum inhibitory concentration (MIC) range of 0.12-0.25 μg/mL. In addition, compounds 4 and 6 exemplify two unusual architectures of natural cyclodipeptides, signifying the unique biochemical characteristics of the producing fungus.
    MeSH terms: Anti-Bacterial Agents/isolation & purification; Anti-Bacterial Agents/metabolism*; Anti-Bacterial Agents/pharmacology*; Anti-Bacterial Agents/chemistry; Ascomycota/metabolism*; Bacteria/drug effects; Microbial Sensitivity Tests; Models, Molecular; Molecular Conformation; Diketopiperazines/isolation & purification; Diketopiperazines/metabolism*; Diketopiperazines/pharmacology*; Diketopiperazines/chemistry
  20. Zukerman-Schpector J, Madureira LS, Wulf GD, Stefani HA, Vasconcelos SN, Ng SW, et al.
    Molecules, 2014;19(2):1990-2003.
    PMID: 24531216 DOI: 10.3390/molecules19021990
    Two independent molecules that differ in terms of rotation about the central S-N bond comprise the asymmetric unit of the title compound 1. The molecules have a V-shape with the dihedral angles between the fused ring system and benzene ring being 79.08(6)° and 72.83(5)°, respectively. The packing is mostly driven by p···p interactions occurring between the tolyl ring of one molecule and the C6 ring of the indole fused ring system of the other. DFT and IRC calculations for these and related 1-(arylsulfonyl)indole molecules showed that the rotational barrier about the S-N bond between conformers is within the 2.5-5.5 kcal/mol range. Crystal data for C16H13NO3S (1): Mr = 299.33, space group Pna21, a = 19.6152(4) Å, b = 11.2736(4) Å, c = 12.6334(3) Å, V = 2793.67(13) Å3, Z = 8, Z' = 2, R = 0.034.
    MeSH terms: Benzene Derivatives/chemical synthesis; Benzene Derivatives/chemistry*; Indoles/chemistry*; Molecular Structure*; Crystallography, X-Ray
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