Browse publications by year: 2010

  1. Hemamalini M, Fun HK
    PMID: 21580345 DOI: 10.1107/S1600536810004447
    In the title compound, C(5)H(5)ClN(2)·C(7)H(6)O(2), the carboxyl group of the benzoic acid mol-ecule is twisted away from the attached ring by 14.22 (7)°. In the crystal, the 2-amino-5-chloro-pyridine mol-ecules inter-act with the carboxyl groups of benzoic acid mol-ecules through N-H⋯O and O-H⋯N hydrogen bonds, forming cyclic R(2) (2)(8) hydrogen-bonded motifs, and linking the mol-ecules into chains parallel to the [001] direction. Neighbouring 2-amino-5-chloro-pyridine mol-ecules are also centrosymmetrically paired through C-H⋯Cl hydrogen bonds, forming another R(2) (2)(8) motif. The crystal structure is further stabilized by weak C-H⋯O hydrogen bonds.
  2. Yeap CS, Hemamalini M, Fun HK
    PMID: 21580347 DOI: 10.1107/S1600536810004526
    The title Schiff base compound, C(13)H(11)NO(5)S·3H(2)O, formed from sulfanilic acid and 2,4-dihydroxy-benzaldehyde, crystallized out as a zwitterion with the N atom protonated. The asymmetric unit consists of one 4-[(2,4-dihydroxy-benzyl-idene)ammonio]benzene-sulfonate and three water mol-ecules. The zwitterion exists in an E configuration with respect to the central C=N double bond. The two benzene rings of the mol-ecule are oriented at a dihedral angle of 27.33 (8)°. An intra-molecular N-H⋯O hydrogen bond stabilizes the mol-ecular structure. In the crystal, the zwitterions are linked into chains along [101] by inter-molecular O-H⋯O and N-H⋯O hydrogen bonds. The three water mol-ecules link these chains into a three-dimensional framework by additional inter-molecular O-H⋯O hydrogen bonds. A π⋯π inter-action [3.5485 (9) Å] further stabilizes the crystal structure.
  3. Hemamalini M, Fun HK
    PMID: 21580379 DOI: 10.1107/S1600536810005301
    In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the nitro group of the 4-nitro-benzoate anion is twisted by 6.2 (2)° from the attached ring. In the crystal structure, the cations and anions are linked via strong N-H⋯O and weak C-H⋯O hydrogen bonds, forming a three-dimensional network.
  4. Hemamalini M, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2010 Feb 13;66(Pt 3):o623-4.
    PMID: 21580381 DOI: 10.1107/S1600536810005180
    In the title compound, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the H atom of the N-H group and an H atom of the 2-amino group from the cation are involved in inter-molecular N-H⋯O hydrogen bonds with the O atoms of the carboxyl-ate group of the anion, forming an R(2) (2)(8) ring motif. These ring motifs are, in turn, connected by further N-H⋯O hydrogen bonds, forming a two-dimensional network. The crystal structure is further stabilized by π⋯π stacking inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7594 (8) Å.
  5. Othman EA, Soh SK, Yamin BM
    PMID: 21580385 DOI: 10.1107/S1600536810005271
    The title compound, C(10)H(11)ClN(2)OS, adopts a cis-trans configuration with respect to the position of the phenyl and 3-chloro-propionyl groups relative to the thiono group across the C-N bonds. The benzene ring is perpendicular to the propionyl thio-urea fragment with a dihedral angle of 82.62 (10)°. An intra-molecular N-H⋯O inter-action occurs. The crystal structure is stabilized by inter-molecular N-H⋯S hydrogen bonds, which link pairs of mol-ecules, building up R(2) (2)(8) ring motifs, and C-H.. π inter-actions.
  6. Hemamalini M, Fun HK
    PMID: 21580395 DOI: 10.1107/S1600536810005556
    In the crystal structure of the title compound, C(5)H(9)N(3) (2+)·2NO(3) (-), the cations and anions are connected by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. The crystal structure is further stabilized by π⋯π inter-actions between pyridinium rings [centroid-centroid distance = 3.775 (4) Å].
  7. Hemamalini M, Fun HK
    PMID: 21580410 DOI: 10.1107/S1600536810005970
    In the title compound, C(6)H(9)N(2) (+)·C(6)H(4)NO(2) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.023 (2) Å. In the crystal, the cations and anions are linked via strong N-H⋯O hydrogen bonds, forming a two dimensional network parallel to (100). In addition, π⋯π inter-actions involving the pyridinium and pyridine rings, with centroid-centroid distances of 3.6383 (8) Å, are observed.
  8. Hemamalini M, Fun HK
    PMID: 21580411 DOI: 10.1107/S1600536810005969
    In the title adduct, C(5)H(5)BrN(2)·C(7)H(6)O(2), the carboxyl group of the benzoic acid mol-ecule is twisted away from the attached ring by 12.97 (11)°. The 2-amino-5-bromo-pyridine mol-ecules inter-act with the carboxylic group of neighbouring benzoic acid mol-ecules through N-H⋯O and O-H⋯N hydrogen bonds, forming cyclic R(2) (2)(8) hydrogen-bonded motifs and linking the mol-ecules into a two-dimensional network lying parallel to (100). The crystal structure is further stabilized by weak C-H⋯O hydrogen bonds.
  9. Hemamalini M, Fun HK
    PMID: 21580412 DOI: 10.1107/S1600536810006288
    In the title salt, C(5)H(6)BrN(2) (+)·C(7)H(6)NO(2) (-), the pyridine N atom of the 2-amino-5-bromo-pyridine mol-ecule is protonated. In the crystal, the protonated N atom and the 2-amino group are hydrogen-bonded to the carboxyl-ate O atoms via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. Two inversion-related 3-amino-benzoate anions are linked through N-H⋯O hydrogen-bonds, forming an R(2) (2)(14) ring motif. The crystal structure is further stabilized by π⋯π inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7743 (15) Å.
  10. Narimani L, Yamin BM
    PMID: 21580417 DOI: 10.1107/S1600536810005994
    In the title compound, C(2)H(10)N(2) (2+)·0.5(C(2)O(4))(2-)·NCS(-), the ethyl-enediaminium dication adopts a (+)-synclinal conformation with an N-C-C-N torsion angle of 62.64 (15)°. The oxalate dianion lies across an inversion centre. In the crystal structure, the ions are linked through N-H⋯N, N-H⋯O and C-H⋯S hydrogen bonds, leading to the formation of a three-dimensional network.
  11. Hemamalini M, Fun HK
    PMID: 21580432 DOI: 10.1107/S1600536810006495
    In the title compound, C(5)H(6)BrN(2) (+)·C(4)H(5)O(4) (-), the pyridine N atom of the 2-amino-5-bromo-pyridine mol-ecule is protonated. The protonated N atom and the amino group are linked via N-H⋯O hydrogen bonds to the carboxyl-ate O atoms of the singly deprotonated succinate anion. The hydrogen succinate anions are linked via O-H⋯O hydrogen bonds. A weak inter-molecular C-H⋯O hydrogen bond is also observed.
  12. Hemamalini M, Fun HK
    PMID: 21580433 DOI: 10.1107/S1600536810006392
    The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(2)F(3)O(2) (-), contains four independent 2-amino-pyridinium cations and four independent trifluoro-acetate anions. In the crystal structure, these ions are linked by N-H⋯O hydrogen bonds, forming four cation-anion pairs each containing an R(2) (2)(8) ring motif. The ion pairs are linked into two independent chains along [100] by N-H⋯O hydrogen bonds. In addition, C-H⋯O and C-H⋯F hydrogen bonds and π⋯π inter-actions [centoid-centroid separation = 3.6007 (17) Å] are observed.
  13. Lo KM, Ng SW
    PMID: 21580468 DOI: 10.1107/S160053681000680X
    In the title mol-ecular salt, [C(6)H(5)(CH(3))(3)N](2)[SnBr(4.75)Cl(1.25)], the Sn(IV) atom (site symmetry ) adopts an octa-hedral coordination geometry. The Br and Cl atoms are disordered over three sites in 0.7415 (13):0.2585 (14), 0.8514 (14):0.1486 (14) and 0.7821 (14):0.2179 (14) ratios.
  14. Ali A, Abdullah N, Maah MJ, Lo KM
    PMID: 21580544 DOI: 10.1107/S1600536810010949
    In the title complex, [Ni(C(20)H(10)Br(2)Cl(2)N(2)O(2))], the Ni(II) ion is coordinated by two phen-oxy O atoms and two imino N atoms of the tetradentate ligand, forming a slightly distorted square-planar environment. The mol-ecule is essentially planar, with an r.m.s. deviation of 0.088 Å for the mean plane defined by all non-H atoms in the mol-ecule.
  15. Wong HW, Lo KM, Ng SW
    PMID: 21580561 DOI: 10.1107/S1600536810011372
    The V(V) atom in the title compound, [V(C(8)H(9)N(2)O)(C(17)H(14)N(2)O(3))O]·CH(3)OH, is N,O-chelated by the benzoyl-hydrazidate anion and O,N,O'-chelated by the (benzoyl-hydrazono)propionate dianion. The octa-hedral trans-N(2)O(4) coordination geometry is completed by the vanadyl O atom. Two mononuclear complexes and two solvent mol-ecules are linked by O-H⋯O and O-H⋯N hydrogen bonds, generating a centrosymmetric aggregate.
  16. Reisi R, Misran M, Lo KM, Ng SW
    PMID: 21580562 DOI: 10.1107/S1600536810011384
    The Schiff base ligand in the title compound, [Sn(C(4)H(9))(2)(C(11)H(12)ClNO(4))], chelates to the Sn atom through the two deprotonated O atoms, as well as through the N atom, to confer an overall cis-C(2)SnNO(2) trigonal-bipyramidal geometry at tin [C-Sn-C = 130.3 (1)°]. The hydr-oxy groups engage in O-H⋯O hydrogen bonding with the O atoms of adjacent mol-ecules, generating a chain running along the c axis.
  17. Yehye WA, Ariffin A, Rahman NA, Ng SW
    PMID: 21580580 DOI: 10.1107/S1600536810006884
    In the title compound, C(30)H(36)N(2)O(2)S, the dihedral angle between the two aromatic rings of the biphenyl residue is 31.2 (1)°. The two methyl-ene C atoms subtend an angle of 99.9 (1)° at the S atom. In the crystal, mol-ecules form inversion dimers linked by pairs of N-H⋯O hydrogen bonds. The hydroxyl group is shielded by the tert-butyl residues and is therefore not involved in any hydrogen bonding.
  18. Yeap CS, Hemamalini M, Fun HK
    PMID: 21580598 DOI: 10.1107/S160053681000766X
    In the title Schiff base, C(17)H(14)Cl(4)N(2), the atoms of one of the 2,6-dichloro-benzyl-idene units and the central 1,2-diamino-propane grouping are disordered over two sets of sites in a 0.8838 (12):0.1162 (12) ratio. The dihedral angles between the ordered benzene ring and its disordered counterparts are 57.41 (12) and 54.8 (6)° for the major and minor disorder components, respectively. The crystal studied was a racemic twin, the refined ratio of the twin components being 0.37 (5):0.63 (5).
  19. Hemamalini M, Fun HK
    PMID: 21580618 DOI: 10.1107/S1600536810008184
    In the title compound, C(5)H(6)BrN(2) (+)·C(2)F(3)O(2) (-), the F atoms of the anion are disordered over two sets of sites, with occupancies of 0.59 (2):0.41 (2). In the crystal structure, the anions and cations are linked into a two-dimensional network parallel to (100) by N-H⋯O and C-H⋯O hydrogen bonds. Within this network, the N-H⋯O hydrogen bonds generate R(2) (2)(8) ring motifs.
  20. Hemamalini M, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2010 Mar 10;66(Pt 4):o781-2.
    PMID: 21580622 DOI: 10.1107/S1600536810008202
    The asymmetric unit of the title compound, C(6)H(9)N(2) (+)·C(2)F(3)O(2) (-), contains two independent 2-amino-4-methyl-pyridinium cations and two independent trifluoro-acetate anions. The F atoms of both anions are disordered over two sets of sites, with site occupancies of 0.50 (3) and 0.50 (3) in one of the anions, and 0.756 (9) and 0.244 (9) in the other. In the crystal, the cations and anions are linked into chains along the b axis by N-H⋯O hydrogen bonds and these chains are cross-linked by C-H⋯O hydrogen bonds, forming a two-dimensional network lying parallel to (101). The crystal structure is further stabilized by π-π inter-actions between the pyridinium rings [centroid-centroid distances = 3.5842 (13) and 3.5665 (16) Å].
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