Browse publications by year: 2010

  1. Hemamalini M, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2010 Jul 31;66(Pt 8):o2153-4.
    PMID: 21588438 DOI: 10.1107/S1600536810029636
    The asymmetric unit of the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(6)S(-), contains two crystallographically independent 2-amino-5-methylpyridinium cations and two sulfosalicylate anions. In the crystal structure, the sulfonate group of each 3-carb-oxy-4-hy-droxy-benzene-sulfonate anion inter-acts with the corresponding 2-amino-5-methyl-pyridinium cation via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ionic units are linked by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds. Furthermore, the crystal structure is stabilized by π-π inter-actions between the benzene and pyridine rings [centroid-centroid distances = 3.5579 (8) and 3.8309 (8) Å]. There are also intra-molecular O-H⋯O hydrogen bonds in the anions, which generate S(6) ring motifs.
  2. Quah CK, Hemamalini M, Fun HK
    PMID: 21588447 DOI: 10.1107/S1600536810029855
    In the title compound, C(5)H(6)BrN(2) (+)·C(7)H(5)O(3) (-), the 2-amino-5-bromo-pyridinium cation and 2-hy-droxy-benzoate anion are essentially planar with maximum deviations of 0.020 (1) and 0.018 (2) Å, respectively. The anion is stabilized by an intra-molecular O-H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, the cations and anions are linked by N-H⋯O hydrogen bonds into chains propagating along [010]. The chains contain R(2) (2)(8) ring motifs. The structure is further stabilized by π-π stacking inter-actions [centroid-centroid distances = 3.4908 (10) and 3.5927 (10) Å] and also features short Br⋯O contacts [2.9671 (13) Å].
  3. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW, Tiekink ER
    PMID: 21588463 DOI: 10.1107/S1600536810030138
    In the title compound, C(12)H(11)ClN(2), the dihedral angle between the benzene and pyridyl rings is 48.03 (8)°. Twists are also evident in the mol-ecule, in particular about the N(a)-C(b) (a = amine and b = benzene) bond [C-N-C-C = -144.79 (18)°]. In the crystal, inversion dimers linked by pairs of N-H⋯N hydrogen bonds result in the formation of eight-membered {⋯NCNH}(2) synthons [or R(2) (2)(8) loops].
  4. Nasir SB, Abdullah Z, Fairuz ZA, Ng SW, Tiekink ER
    PMID: 21588464 DOI: 10.1107/S160053681003014X
    In the title compound, C(11)H(10)N(2)O(2), the benzene ring faces towards one of the pyrimidine N atoms, and is almost orthogonal to the plane through the pyrimidine ring [dihedral angle = 84.40 (14)°]. In the crystal, the presence of C-H⋯π and π-π [centroid-centroid separation = 3.7658 (18) Å] inter-actions leads to a supra-molecular array in the ac plane. The layers thus formed inter-digitate along the b axis.
  5. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW, Tiekink ER
    PMID: 21588477 DOI: 10.1107/S1600536810030187
    In the crystal structure of the title complex, [Cu(2)(CH(3)COO)(4)(C(12)H(11)ClN(2))(2)], the complete binuclear mol-ecule is generated by a crystallographic centre of inversion; the four acetate groups each bridge a pair of Cu(II) atoms. The coordination of the metal atom is distorted octa-hedral within a donor set defined by four O atoms, the heterocyclic N atom and the second Cu atom. The pyridine ring is twisted with respect to the benzene ring, forming a dihedral angle of 33.9 (2)°. An intra-molecular N-H⋯O hydrogen bond is present between the amino group and a carboxyl O atom. Inter-molecular inter-actions of the C-H⋯π type link mol-ecules in the crystal structure.
  6. Abdullah N, Mohamadin MI, Safwan AP, Tiekink ER
    PMID: 21588481 DOI: 10.1107/S1600536810030436
    The title complex, [Cu(C(7)H(3)N(2)O(6))(2)(C(10)H(8)N(2))(H(2)O)]·C(4)H(8)O, features a penta-coordinate Cu(II) atom bound by two monodentate carboxyl-ate ligands, a bidentate 2,2'-bipyridine mol-ecule [dihedral angle between pyridine rings = 5.0 (2)°] and a water mol-ecule. The resulting N(2)O(3) donor set defines a distorted square-pyramidal geometry with the coordinated water mol-ecule in the apical position. In the crystal, the presence of O-H(w)⋯O(c) (w = water and c = carbon-yl) hydrogen bonding leads to the formation of a supra-molecular chain propagating along the c axis, which associates into a double chain via C-H⋯ O and π-π contacts between pyridyl rings [centroid-centroid distance = 3.527 (3) Å]. The solvent mol-ecules, which are disordered over two orientations in a 0.678 (11):0.322 (11) ratio, occupy voids defined by the complex mol-ecules and are held in place via C-H⋯O inter-actions.
  7. Keng TC, Lo KM, Ng SW
    PMID: 21588487 DOI: 10.1107/S160053681003076X
    Tris(2-chloro-benz-yl)tin hydroxide condenses with 3-mercapto-1,2,4-triazole to form the 1:1 cocrystal of the title compound, [Sn(C(7)H(6)Cl)(3)(C(2)H(2)N(3)S)]. The asymmetric unit contains two mol-ecules which differ only in the position of the nitro-gen-bound H atom of the triazole ring; one mol-ecule is linked to the other mol-ecule by an N-H⋯N hydrogen bond. In the second mol-ecule, two of the chloro-benzyl units are disordered over two positions in a 0.73 (1):0.27 (1) ratio. The Sn atom in both mol-ecules shows a distorted tetra-hedral SnSC(3) coordination.
  8. Shawish HB, Tan KW, Maah MJ, Ng SW
    PMID: 21588494 DOI: 10.1107/S1600536810031065
    The deprotonated Schiff base ligand in the title compound, [Ni(C(8)H(8)N(3)O(2)S)(C(18)H(15)P)]Cl, functions as an N,O,S-chelating anion to the phosphine-coordinated Ni atom, which exists in a distorted square-planar geometry. The hy-droxy group forms an intra-molecular O-H⋯O hydrogen bond. The two amino groups of the cation are hydrogen-bond donors to the chloride anion; the hydrogen bonds generate a chain structure running along the b axis.
  9. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW, Tiekink ER
    PMID: 21588497 DOI: 10.1107/S1600536810031168
    The title complex, [Cu(2)(CH(3)COO)(4)(C(13)H(14)N(2))(2)], features a binuclear mol-ecule, which lies about a crystallographic centre of inversion; the four acetate ions each bridge a pair of Cu(II) atoms. The coordination of the metal atom is distorted octa-hedral within a donor set defined by four O atoms, the heterocyclic N atom and the second Cu atom. The pyridine ring is twisted with respect to the tolyl ring and forms a dihedral angle of 35.34 (9)°. A bifurcated N-H⋯(O,O) hydrogen bond is present, linking the amine group to two carboxyl-ate O atoms derived from different acetate ions. In the crystal, C-H⋯π inter-actions link mol-ecules into a supra-molecular array in the bc plane.
  10. Saleh Salga M, Khaledi H, Mohd Ali H
    PMID: 21588532 DOI: 10.1107/S1600536810032563
    In the title compound, [CdCl(2)(C(13)H(19)N(3)O)], the Cd(II) ion is penta-coordinated with the N,N,O-tridentate Schiff base 2-{[2-(piperazin-4-ium-1-yl)eth-yl]imino-meth-yl}phenolate ligand and two Cl atoms in a highly distorted square-pyramidal geometry; the piperazine ring adopts a chair conformation. In the crystal structure, adjacent mol-ecules are linked together via N-H⋯O and N-H⋯Cl hydrogen bonds, forming infinite layers parallel to the ab plane. The layers are further connected through C-H⋯Cl inter-actions into a three-dimensional network.
  11. Ng SW
    PMID: 21588539 DOI: 10.1107/S1600536810032733
    The asymmetric unit of the title organotin(IV) compound, [Sn(C(4)H(9))(2)(C(5)H(3)N(2)O(2))(2)(H(2)O)], contains one-and-a-half mol-ecules. The half-mol-ecule is completed by crystallographic twofold symmetry, with its Sn and water O atoms lying on the rotation axis. Both mol-ecules feature seven-coordinate Sn atoms in trans-C(2)SnN(2)O(3) penta-gonal-bipyramidal coordination environments. The carboxyl-ate anions N,O-chelate to the Sn atom. In the crystal, the carboxyl-ate O atoms not involved in coordination serve as acceptors for O-H⋯O hydrogen bonds from adjacent water mol-ecules, generating a three-dimensional network.
  12. Aiyub Z, Badaruddin E, Abdullah Z, Fairuz ZA, Ng SW, Tiekink ER
    PMID: 21588567 DOI: 10.1107/S1600536810034033
    In the centrosymmetric title mol-ecule, [Cu(2)(CH(3)COO)(4)(C(6)H(9)N(3))(2)], each of the four acetate groups bridges a pair of Cu(II) atoms [Cu-Cu = 2.6540 (4) Å]. The distorted octa-hedral geometry of the metal atom is completed by an N-donor atom of the N-ethyl-pyrimidin-2-amine ligand: an intra-molecular N-H⋯O hydrogen links its N-H group to an acetate carboxyl-ate O atom. In the crystal, C-H⋯O inter-actions link the mol-ecules into a supra-molecular chain along the b axis.
  13. Hemamalini M, Fun HK
    PMID: 21588569 DOI: 10.1107/S160053681003000X
    In the title salt, C(6)H(9)N(2) (+)·C(8)H(5)O(4) (-), the hydrogen phthalate anion is essentially planar, with a maximum deviation of 0.011 (2) Å. In the crystal structure, the protonated N atom of the pyridine ring and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. In the hydrogen phthalate anion, there is a very strong, almost symmetric, intra-molecular O-H⋯O hydrogen bond, generating an S(7) motif [O⋯O = 2.382 (3) Å]. Furthermore, these two molecular motif rings are connected by a bifurcated N-H⋯(O,O) hydrogen-bonded motif R(1) (2)(4), forming a supra-molecular ribbon along the b axis. The crystal structure is further stabilized by π-π inter-actions between the cations and anions [centroid-centroid distance = 3.6999 (10) Å].
  14. Hemamalini M, Fun HK
    PMID: 21588574 DOI: 10.1107/S1600536810030059
    In the title salt, C(5)H(6)BrN(2) (+)·C(4)H(3)O(4) (-), the 2-amino-5-bromo-pyridinium cation and hydrogen maleate anion are planar, with maximum deviations from their mean planes of 0.016 (1) and 0.039 (1) Å, respectively. An intra-molecular O-H⋯O hydrogen bond generates an S(7) ring motif in the anion. In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen-bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The motifs are linked into a two-dimensional network parallel to (011) by N-H⋯O and C-H⋯O hydrogen bonds.
  15. Nasir SB, Abdullah Z, Fairuz ZA, Ng SW, Tiekink ER
    PMID: 21588583 DOI: 10.1107/S1600536810030448
    The pyrimidine and benzene rings in the title compound, C(10)H(8)N(2)O(2), form a dihedral angle of 71.03 (7)°, with the roughly orthogonal benzene ring being folded towards one of the pyrimidine N atoms. In the crystal, pairs of O-H⋯N hydrogen bonds connect mol-ecules related by twofold symmetry into dimeric aggregates. These associate into a supra-molecular chain propagating along the b axis by way of C-H⋯π contacts. The chains are cross-linked by π-π inter-actions that occur between pyrimidine rings [ring centroid-centroid distances = 3.5393 (9) and 3.5697 (9) Å].
  16. Ng SW
    PMID: 21588594 DOI: 10.1107/S1600536810030369
    In the title salt, C(7)H(11)N(2) (+)·Br(3) (-), the essentially planar cation (r.m.s. deviation = 0.006 Å) forms an N-H⋯Br hydrogen bond to one of the Br atoms of the almost linear anion [Br-Br-Br = 179.31 (2)°]. The crystal studied was found to be a racemic twin. The whole-mol-ecule disorder of the cation and anion about a twofold rotation axis described earlier [Ng (2009). Acta Cryst. E65, o1276] is an artifact of halving one of the axes of the ortho-rhom-bic unit cell.
  17. Tan KW, Maah MJ, Ng SW
    PMID: 21588595 DOI: 10.1107/S1600536810030503
    The five-membered ring of the title compound Δ(1)-1,2,4-triazoline-5-thione, C(11)H(13)N(3)S, is almost planar (r.m.s. deviation = 0.009 Å); the phenyl ring is aligned at 84.6 (2)° with respect to the five-membered ring. The crystal studied was a racemic twin with an approximate 20% minor twin component. Weak inter-molecular C-H⋯N hydrogen bonding is present in the crystal structure.
  18. Shawish HB, Tan KW, Maah MJ, Ng SW
    PMID: 21588600 DOI: 10.1107/S1600536810030783
    In the title mol-ecule, C(10)H(13)N(3)O(3)S·2H(2)O, the thio-semi-carbazide =N-NH-C(=S)-NH- fragment [torsion angle = 0.2 (1)°] is nearly coplanar with the benzene ring [dihedral angle = 2.4 (1)°]. The benzene ring and semicarbazide moiety are located on opposite sites of the C=N bond, showing an E configuration. The hy-droxy, imino and water H atoms are engaged in extensive hydrogen bonding, forming a three-dimensional network.
  19. Hassan IN, Yamin BM, Kassim MB
    PMID: 21588609 DOI: 10.1107/S1600536810030084
    In the title compound, C(13)H(14)N(2)O(3)S, the methyl 2-(3-formyl-thio-ureido)acetate fragment and the phenyl ring adopt an E configuration. The mol-ecule exhibits an intra-molecular N-H⋯O hydrogen bond, which completes a six-membered ring. The crystal packing is stabilized by inter-molecular N-H⋯S contacts, generating a two-dimensional hydrogen-bonding network.
  20. Hemamalini M, Fun HK
    PMID: 21588612 DOI: 10.1107/S1600536810030916
    In the crystal structure of the title salt, C(5)H(6)BrN(2) (+)·C(6)H(4)NO(3) (-)·H(2)O, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The ion pairs are further connected via O-H⋯O, N-H⋯O, N-H⋯Br and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. The water mol-ecules self-assemble through O-H⋯O hydrogen bonds, forming one-dimensional supra-molecular chains along the a axis, with graph-set notation C(2) (2)(4).
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