Displaying publications 1 - 20 of 243 in total

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  1. Hemamalini M, Fun HK
    PMID: 21523101 DOI: 10.1107/S1600536811001541
    The title hydrated quinoline derivative, C(11)H(9)NO(3)·2H(2)O, crystallizes as a zwitterion in which the quinoline N atom is protonated. The quinoline ring is essentially planar, with a maximum deviation of 0.017 (2) Å. An intra-molecular N-H⋯O hydrogen bond between the protonated N atom and the O atom of the carboxyl-ate group in the zwitterion forms an S(5) ring motif. In the crystal, the zwitterions are connected into inversion dimers via pairs of N-H⋯O and C-H⋯O hydrogen bonds with R(2) (2)(4) and R(1) (2)(6) motifs. The water mol-ecules are connected via O-H⋯O hydrogen bonds, forming supra-molecular chains along the c axis. Furthermore, the chains and the dimers are connected via O-H⋯O hydrogen bonds, forming ladder-like supra-molecular ribbons along the c axis.
  2. Hemamalini M, Fun HK
    PMID: 21588284 DOI: 10.1107/S1600536810026292
    In the title salt, C(6)H(9)N(2) (+)·C(4)H(3)O(4) (-), the dihedral angle between the pyridine ring and the plane formed by the hydrogen fumarate anion is 85.67 (6)°. Excluding the amino and methyl groups, the atoms of the cation are coplanar, with a maximum deviation of 0.005 (1) Å. In the crystal structure, 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. These motifs are further connected through N-H⋯O and C-H⋯O hydrogen bonds, leading to a supra-molecular chain along the c axis. These chains are further cross-linked via a pair of O-H⋯O hydrogen bonds involving centrosymmetrically related hydrogen fumarate anions, forming a two-dimensional network parallel to (101). These planes are further interconnected by O-H⋯O interactions into a three-dimensional network.
  3. Hemamalini M, Fun HK
    PMID: 21588285 DOI: 10.1107/S1600536810026280
    In the title salt, C(5)H(6)BrN(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-bromo-pyridinium cation is essentially planar, with a maximum deviation of 0.005 (3) Å. In the crystal structure, the proton-ated 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 and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane. In the network, the hydrogen glutarate (4-carb-oxy-butano-ate) anions self-assemble through O-H⋯O hydrogen bonds, forming a supra-molecular chain along the c axis.
  4. Hemamalini M, Fun HK
    PMID: 21588255 DOI: 10.1107/S1600536810025651
    In the crystal structure of the title salt, 2C(6)H(9)N(2) (+)·C(8)H(4)O(4) (2-)·4H(2)O, the terephthalate carboxyl-ate groups inter-acts with the 2-amino-4-methyl-pyridinium cations via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The water mol-ecules form an R(6) (6)(12) ring motif through O-H⋯O hydrogen bonds and these motifs are fused, forming a supra-molecular chain along the c axis. The R(2) (2)(8) and R(6) (6)(12) ring motifs are connected via O-H⋯O hydrogen bonds. In addition, π-π stacking inter-actions are observed between the pyridinium rings [centroid-centroid distance = 3.522 (12) Å].
  5. Hemamalini M, Fun HK
    PMID: 21588683 DOI: 10.1107/S1600536810032307
    In the title salt, C(5)H(6)ClN(2) (+)·C(6)H(4)NO(3) (-)·0.85H(2)O, the pyridin-ium ring is planar, with a maximum deviation of 0.010 (2) Å. In the crystal structure, the cations, anions and water mol-ecules are linked via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.
  6. Hemamalini M, Fun HK
    PMID: 21588738 DOI: 10.1107/S1600536810033908
    The asymmetric unit of the title salt, C(5)H(6)BrN(2) (+)·C(7)H(5)O(6)S(-), contains two independent 2-amino-5-bromo-pyridinium cations and two independent 3-carb-oxy-4-hy-droxy-benzene-sulfonate anions. The hy-droxy and carboxyl groups of the anions are involved in intra-molecular O-H⋯O hydrogen bonds, which generate S(6) ring motifs. In the crystal structure, the ions are linked by N-H⋯O and O-H⋯O hydrogen bonds into a two-dimensional network parallel to (110). Adjacent networks are linked via C-H⋯O hydrogen bonds.
  7. Hemamalini M, Fun HK
    PMID: 21588778 DOI: 10.1107/S1600536810034276
    The mol-ecular structure of the title compound, C(8)H(12)N(2)O, indicates that 2-isopropyl-6-methyl-pyrimidin-4-ol (the enol-form) undergoes an enol-to-keto tautomerism during the crystallization process. The pyrimidin-4(3H)-one group is essentially planar, with a maximum deviation of 0.081 (1) Å for the O atom. In the crystal structure, symmetry-related mol-ecules are linked into centrosymmetic dimers via pairs of inter-molecular N-H⋯O hydrogen bonds, generating R(2) (2)(8) rings. These dimers are stacked along the a axis.
  8. Hemamalini M, Fun HK
    PMID: 21588730 DOI: 10.1107/S1600536810033076
    In the title salt, C(6)H(9)N(2) (+)·C(6)H(7)O(2) (-)·2H(2)O, the non-H atoms of the 2-amino-4-methyl-pyridinium cation are coplanar, with a maximum deviation of 0.010 (1) Å. In the crystal structure, the pyridinium 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 sorbate anions and water mol-ecules are linked through O-H⋯O hydrogen bonds, forming R(10) (10)(28) and R(6) (4)(12) ring motifs. The motifs form part of a three-dimensional framework.
  9. Hemamalini M, Fun HK
    PMID: 21579728 DOI: 10.1107/S1600536809055779
    In the title compound, C(7)H(11)N(2)O(2)S(+)·Cl(-), the 4,6-dimeth-oxy-2-(methyl-sulfan-yl)pyrimidinium cation is essentially planar (r.m.s. deviation = 0.043 Å). In the crystal, the anions and cations are connected by inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a two-dimensional network parallel to (011). Adjacent networks are cross-linked via π-π inter-actions involving the pyrimidinium ring [centroid-centroid distance = 3.5501 (8) Å].
  10. Hemamalini M, Fun HK
    PMID: 21580288 DOI: 10.1107/S1600536810003624
    The asymmetric unit of the title compound, C(5)H(9)N(3) (2+)·2Cl(-), contains two diprotonated 2,3-diamino-pyridine cations and four chloride anions. In the crystal structure, the anions and cations are connected by inter-molecular N-H⋯Cl and C-H⋯Cl hydrogen bonds, forming a three-dimensional network. The crystal structure is further stabilized by π-π inter-actions between pyridinium rings [centroid-centroid distance = 3.695 (1) Å].
  11. Hemamalini M, Fun HK
    PMID: 21579764 DOI: 10.1107/S1600536810000693
    In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-), the nitro group of the 4-nitro-benzoate anion is twisted by 7.66 (10)° from the attached ring. In the crystal structure, the 2-amino-4-methyl-pyridinium cations and 4-nitro-benzoate anions are linked via a pair of N-H⋯O hydrogen bonds to form a ribbon-like structure along the c axis. The ribbons are crosslinked into a three-dimensional framework by C-H⋯O hydrogen bonds.
  12. Hemamalini M, Fun HK
    PMID: 21579888 DOI: 10.1107/S1600536810001443
    In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(2) (-)·C(7)H(6)O(2), the carboxyl and carboxyl-ate groups are twisted away from their attached benzene rings by 10.75 (7) and 20.33 (6)°, respectively. In the crystal structure, the 2,3-diamino-pyridinium cations, benzoate anions and benzoic acid mol-ecules are linked into a two-dimensional network parallel to (001) by O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions between the pyridinium rings [centroid-centroid distance = 3.4981 (7) Å].
  13. 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.
  14. Hemamalini M, Fun HK
    PMID: 21589119 DOI: 10.1107/S1600536810042571
    In the title mol-ecular salt, C(8)H(13)N(2)O(+)·C(7)H(3)N(2)O(7) (-)·H(2)O, the pyrimidinium cation is essentially planar, with a maximum deviation of 0.009 (1) Å. The cation undergoes an enol-keto tautomerism during the crystallization. In the crystal, the ion pairs and water mol-ecules are connected via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming two-dimensional networks parallel to the bc plane. There is an intra-molecular O-H⋯O hydrogen bond in the 3,5-dinitro-salicylate anion, which generates an S(6) ring motif.
  15. Hemamalini M, Fun HK
    PMID: 21588952 DOI: 10.1107/S1600536810038936
    In the title salt, C(5)H(8)N(3) (+)·C(7)H(3)N(2)O(7) (-), the pyridine N atom of the 3,4-diamino-pyridine mol-ecule is protonated. The 3,5-dinitro-salicylate anion shows whole-mol-ecule disorder over two orientations with a refined occupancy ratio of 0.875 (4): 0.125 (4). In the crystal, the cations and anions are connected by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network.
  16. Hemamalini M, Fun HK
    PMID: 21580745 DOI: 10.1107/S1600536810009396
    In the title salt, C(6)H(9)N(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 13.07 (4)° from the attached ring. In the crystal structure, the ions are linked into a two-dimensional network by N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds. Within this network, the N-H⋯O hydrogen bonds generate R(2) (2)(8) ring motifs. In addition, π-π inter-actions involving the pyridinium rings, with a centroid-centroid distance of 3.7599 (4) Å, are observed.
  17. Hemamalini M, Fun HK
    PMID: 21587526 DOI: 10.1107/S1600536810035853
    The asymmetric unit of the title compound, 3C(5)H(6)ClN(2) (+)·3C(8)H(5)O(4) (-)·C(8)H(6)O(4), contains three independent 2-amino-5-chloro-pyridinium cations, three independent hydrogen phthal-ate anions and one phthalic acid mol-ecule. In the crystal structure, there are two kinds of supra-molecular tapes. One is formed by two independent cations with two anions through N-H⋯O and C-H⋯O hydrogen bonds. Another one is formed by the other cation and anion, and the phthalic acid mol-ecule via N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds. These two tapes are connected by an O-H⋯O hydrogen bond, forming a double-tape structure.
  18. Hemamalini M, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2010 Jun 26;66(Pt 7):o1843-4.
    PMID: 21588043 DOI: 10.1107/S160053681002444X
    In the title salt, C(6)H(9)N(2) (+)·C(7)H(4)ClO(2) (-), the 2-amino-4-methyl-pyridinium cation is almost planar, with a maximum deviation of 0.010 (1) Å. 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 ion pairs are further connected via N-H⋯O and C-H⋯O hydrogen bonds, forming a two-dimensional network parallel to the bc plane.
  19. Hemamalini M, Fun HK
    PMID: 21588042 DOI: 10.1107/S1600536810024451
    In the title salt, C(6)H(9)N(2) (+)·C(5)H(7)O(4) (-), the 2-amino-5-methyl-pyridinium cation is essentially planar, with a maximum deviation of 0.008 (1) Å. 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. The 4-carb-oxy-butano-ate anions are linked via O-H⋯O hydrogen bonds. The crystal structure is further stabilized by weak C-H⋯O inter-actions.
  20. Hemamalini M, Fun HK
    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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