Displaying publications 61 - 80 of 692 in total

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  1. Fun HK, Quah CK, Boonnak N, Chantrapromma S
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 9;69(Pt 12):o1753-4.
    PMID: 24454207 DOI: 10.1107/S1600536813030080
    In the title mixed salt, 2C16H15N2 (+)·C6H4ClO3S(-)·NO3 (-), one of the cations shows whole mol-ecule disorder over two sets of sites in a 0.711 (7):0.289 (7) ratio. The 4-chorobenzenesulfon-ate anion is also disordered over two orientations in a 0.503 (6):0.497 (6) ratio. The cations are close to planar, the dihedral angles between the pyridinium and indole rings being 1.48 (3)° in the ordered cation, and 5.62 (3) and 2.45 (3)°, respectively, for the major and minor components of the disordered cation. In the crystal, the cations are stacked in an anti-parallel manner approximately along the a-axis direction and linked with the anions via N-H⋯O hydrogen bonds and C-H⋯O inter-actions, generating a three-dimensional network. Weak C-H⋯π and π-π inter-actions [with centroid-centroid distances of 3.561 (2)-3.969 (7) Å] are also observed.
  2. Kobkeatthawin T, Chantrapromma S, Chidan Kumar CS, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 6;69(Pt 12):o1750-1.
    PMID: 24454205 DOI: 10.1107/S1600536813029875
    The title compound, C15H15NO4S, was obtained by the condensation of 4-amino-aceto-phenone and 4-meth-oxy-benzene-sulfonyl chloride. The dihedral angle between the benzene rings is 86.56 (9)° and the mol-ecule has an approximate V-shaped conformation. The C atom of the meth-oxy group is roughly coplanar with its attached ring [deviation = 0.177 (3) Å], as is the methyl C atom of the acetyl group with its ring [deviation = 0.065 (2) Å]. An intra-molecular C-H⋯O inter-action generates an S(6) ring. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into [010] chains. Weak C-H⋯π inter-actions are also observed.
  3. Chantrapromma S, Boonnak N, Jindawong B, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 30;69(Pt 12):o1851-2.
    PMID: 24454267 DOI: 10.1107/S1600536813031917
    The title salt crystallized as the monohydrate C15H16NO2 (+)·C6H4BrSO3 (-)·H2O. The cation exists in an E conformation with respect to the ethynyl bond and is essentially planar, with a dihedral angle of 6.52 (14)° between the pyridinium and the benzene rings. The hy-droxy and meth-oxy substituents are coplanar with the benzene ring to which they are attached, with an r.m.s. deviation of 0.0116 (3) Å for the nine non-H atoms [Cmeth-yl-O-C-C torsion angle = -0.8 (4)°]. In the crystal, the cations and anions are stacked by π-π inter-actions, with centroid-centroid distances of 3.7818 (19) and 3.9004 (17) Å. The cations, anions and water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions, forming a three-dimensional network.
  4. Suwunwong T, Chantrapromma S, Quah CK, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 23;69(Pt 12):o1816-7.
    PMID: 24454245 DOI: 10.1107/S1600536813031437
    In the structure of the title nicotino-nitrile derivative, C19H15N3O, the pyridine ring makes dihedral angles of 11.50 (7) and 43.36 (8)° with the 4-amino-phenyl and phenyl rings, respectively, and the dihedral angle between the phenyl rings is 36.28°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into wave-like sheets parallel to (10-2). These sheets are stacked by π-π inter-actions between the 4-amino-phenyl rings of adjacent sheets, with centroid-centroid distances of 3.7499 (9) Å. C-H⋯π inter-actions are also present.
  5. El-Emam AA, Al-Abdullah ES, Al-Tuwaijri HM, Chidan Kumar CS, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2013 Nov 23;69(Pt 12):o1815.
    PMID: 24454244 DOI: 10.1107/S1600536813031516
    In the title compound, C20H26N2S, the N-containing six-membered ring adopts a boat conformation and the dihedral angle between the thio-carbamide group and the benzene ring is 49.67 (9)°. An intra-molecular C-H⋯S hydrogen bond generates an S(6) ring motif. The N-H group is sterically hindered and there are no significant inter-molecular inter-actions beyond van der Waals contacts.
  6. Basu Baul TS, Kundu S, Ng SW, Tiekink ER
    Acta Crystallogr Sect E Struct Rep Online, 2013 Oct 31;69(Pt 11):m623-4.
    PMID: 24454048 DOI: 10.1107/S160053681302905X
    The complete binuclear molecule of the title compound, [Cd2I4(C14H12N2O2)2], is generated by the application of a centre of inversion. The Cd-I bond lengths of the central core are close and uniformly longer than the exocyclic Cd-I bond. The coordination sphere of the Cd(II) atom is completed by two N atoms of a chelating methyl 4-[(pyridin-2-yl-methyl-idene)amino]-benzoate ligand, and is based on a square pyramid with the terminal I atom in the apical position. The three-dimensional crystal packing is stabilized by C-H⋯O and C-H⋯π inter-actions, each involving the pyridine ring.
  7. Aiswarya N, Sithambaresan M, Kurup MR, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2013 Oct 9;69(Pt 11):m588-9.
    PMID: 24454026 DOI: 10.1107/S1600536813026883
    The title compound, [CuCl2(C19H16N4O)], contains a Cu(II) atom N,N',O-chelated by a neutral N-phenyl-hy-dra-zine-car-box-amide ligand and additionally coordinated by two Cl atoms, resulting in a distorted square-pyramidal geometry. The ligating atoms in the basal square plane of the complex comprise the azomethine N, the pyridine N, the amide O and one of the Cl atoms, whereas the other Cl atom occupies an apical position. The apical Cl atoms in adjacent layers function as hydrogen-bond acceptors to both NH groups. Intermolecular C-H⋯Cl and C-H⋯O interactions are also observed.
  8. Arman HD, Miller T, Tiekink ER
    Acta Crystallogr Sect E Struct Rep Online, 2013 Oct 2;69(Pt 11):o1606.
    PMID: 24454058 DOI: 10.1107/S1600536813026810
    The asymmetric unit of the title salt, C12H14N2 (2+)·2C7H3N2O6 (-), comprises half a 4-[2-(pyridin-1-ium-4-yl)eth-yl]pyridin-1-ium dication, being disposed about a centre of inversion, and a 2,6-di-nitro-benzoate anion, in a general position. In the anion, the carboxyl-ate group is inclined to the benzene ring [dihedral angle = 85.45 (9)°], whereas near-coplanar and twisted arrangements are found for the nitro groups [O-N-C-C torsion angles = 179.80 (14) and 20.2 (2)°]. In the crystal, three-component aggregates sustained by charge-assisted N(+)-H⋯O(-) hydrogen bonds are found and these are consolidated into a three-dimensional architecture by C-H⋯O and π-π [inter-centroid distances = 3.6796 (14) and 3.7064 (14) Å] inter-actions.
  9. Selvakumaran N, Karvembu R, Ng SW, Tiekink ER
    PMID: 24427014 DOI: 10.1107/S1600536813021053
    The title compound, C26H42N4O2S2, adopts a shallow U-shape as both pendant arms of the 1,3-substituted benzene ring are orientated in the same direction. The thione S atoms lie to the same side of the benzene ring and the carbonyl O atoms to the other. The most prominent feature of the crystal packing is the formation of inversion dimers mediated by N-H⋯S hydrogen bonds. One of the 2-methyl-propyl groups is statistically disordered over two positions.
  10. Arman HD, Poplaukhin P, Tiekink ER
    PMID: 24426981 DOI: 10.1107/S1600536813021569
    The asymmetric unit of title salt co-crystal, [K(C9H11N2S2)(C12H24O6)], comprises a K(+) cation, an (-)S2CN(Et)py anion and a 18-crown-6 mol-ecule. Substantial delocalization of π-electron density is evident in the di-thio-carbamate anion, as indicated by the equivalent C-S bond lengths. The K(+) cation sits within an O6S2 donor set lying 0.7506 (6) Å out of the least-squares plane through the six O atoms (r.m.s. deviation = 0.1766 Å) of the 18-crown-6 mol-ecule with the two S atoms being on one side of this plane. Supra-molecular layers in the bc plane, sustained by C-H⋯O and C-H⋯π inter-actions, feature in the crystal packing.
  11. Prasath R, Sarveswari S, Ng SW, Tiekink ER
    PMID: 24427034 DOI: 10.1107/S1600536813021545
    In the title compound, C32H21ClN2O, an almost planar (r.m.s. deviation = 0.033 Å) prop-2-en-1-one bridge links quinolinyl and benzoquinolinyl residues; the latter are twisted out of the plane of the bridge [dihedral angles = 75.94 (5) and 20.20 (5)°, respectively]. In the crystal, a three-dimensional architecture arises as a result of C-H⋯O, C-H⋯π and π-π [centroid-centroid distances involving pyridine rings = 3.5806 (7)-3.7537 (7) Å] interactions.
  12. Ngaini Z, Mohd Ariff MA, Wan Zullkiplee WS, Hussain H, Rosli MM
    PMID: 24427019 DOI: 10.1107/S1600536813020163
    The asymmetric unit of the title compound, C22H18N4O2S2, contains two mol-ecules. In one of them, the dihedral angles between the central benzene ring and the phenyl rings are 16.97 (8) and 20.97 (8)°, while the phenyl rings make a dihedral angle of 37.87 (8)°. In the other mol-ecule, the corresponding values are 34.92 (7), 53.90 (7) and 60.68 (8)°, respectively. In each mol-ecule, two intra-molecular N-H⋯O hydrogen bonds generate S(6) rings and a short C-H⋯S contact also occurs. In the crystal, N-H⋯S, N-H⋯O, C-H⋯O and C-H⋯S inter-actions link the mol-ecules into a three-dimensional network.
  13. 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.
  14. 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.
  15. 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.
  16. 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.
  17. Yeong KY, Ali MA, Choon TS, Rosli MM, Razak IA
    PMID: 24046597 DOI: 10.1107/S1600536813014177
    In the title compound, C28H27FN4O3·H2O, the benzimidazole ring system is essentially planar with a maximum deviation of 0.028 (1) Å. It makes dihedral angles of 47.59 (5) and 60.31 (5)°, respectively, with the pyridine and benzene rings, which make a dihedral angle of 22.58 (6)° with each other. The pyrrolidine ring shows an envelope conformation with one of the methyl-ene C atoms as the flap. In the crystal, the components are connected into a tape along the b-axis direction through O-H⋯O and O-H⋯N hydrogen bonds and a π-π inter-action between the pyridine and benzene rings [centroid-centroid distance of 3.685 (8) Å]. The tapes are further linked into layers parallel to the ab plane by C-H⋯O and C-H⋯F inter-actions.
  18. Pichika MR, Kang YB, Ng SW
    PMID: 24046652 DOI: 10.1107/S1600536813015675
    In the title compound, C17H14Cl2O3, the two benzene rings are twisted by 73.6 (2)°. The twist is similar to that found in the unsubstituted compound, viz. phenyl benzoate. In the crystal, inversion dimers are linked by pairs of C-H⋯O inter-actions.
  19. Pichika MR, Kang YB, Ng SW
    PMID: 24046651 DOI: 10.1107/S1600536813015791
    In the title compound, C17H16O3, the benzene rings are twisted by 63.54 (5)°. The twist is similar to that found in the unsubstituted compound, phenyl benzoate. The crystal packing features C-H⋯O hydrogen bonds.
  20. Yusof MS, Razali NR, Arshad S, Rahman AA, Razak IA
    PMID: 24046599 DOI: 10.1107/S1600536813014268
    In the title mol-ecule, C23H22N2OS, the di-phenyl-acetyl and ethyl-benzene groups adopt a trans-cis conformation, respectively, with respect to the S atom across the (S=)C-N bonds. This conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond and a weak C-H⋯S hydrogen bond. The ethyl-substituted benzene ring forms dihedral angles of 87.53 (15) and 73.94 (15)° with the phenyl rings. In the crystal, N-H⋯O hydrogen bonds link mol-ecules into chains along [100]. A weak C-H⋯π inter-action is also observed.
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