Displaying publications 1 - 20 of 692 in total

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  1. Yamin BM, Arif MA
    PMID: 21200669 DOI: 10.1107/S1600536807062265
    In the title compound, C(20)H(15)ClN(2)OS, the benzene rings of the biphenyl group are at an angle of 44.23 (12)°. The C(4)N(2)OS central thio-urea fragment makes dihedral angles with the benzene carbonyl and chloro-benzene rings of 55.96 (9) and 64.09 (9)°, respectively. The trans-cis geometry of the thio-urea group is stabilized by the intra-molecular hydrogen bond between the carbonyl O atom and the H atom of the cis-thio-amide. In the crystal structure, mol-ecules are linked by N-H⋯S and N-H⋯O inter-molecular hydrogen bonds to form one-dimensional chains along the c axis. C-H⋯π inter-actions also contribute to the stability of the mol-ecule.
  2. Yamin BM, Othman EA
    PMID: 21200875 DOI: 10.1107/S160053680706031X
    The mol-ecule of the title compound, C(4)H(8)N(2)OS, is essentially planar; it adopts a trans configuration with respect to the position of the propionyl group relative to the thiono S atom about the C-N bond. The mol-ecular structure is stabilized by an intra-molecular N-H⋯O hydrogen bond between the propionyl O atom and the amide H atom. Mol-ecules are linked into a two-dimensional network parallel to the (10) plane by N-H⋯O and N-H⋯S inter-molecular hydrogen bonds.
  3. Lo KM, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Apr 23;64(Pt 5):m709.
    PMID: 21202239 DOI: 10.1107/S1600536808010829
    The chloride and chloro-difluoro-acetate anions occupy cis positions in the octa-hedral coordination geometry of the title compound, [Mn(C(2)ClF(2)O(2))Cl(C(12)H(8)N(2))(2)]. The two N-heterocycles both chelate the metal atom.
  4. Lo KM, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Apr 26;64(Pt 5):o922.
    PMID: 21202403 DOI: 10.1107/S1600536808011069
    The carbonyl unit of the title compound, C(13)H(10)Cl(2)N(2)O, lies on a twofold rotation axis. The ring is aligned at 51.6 (1)° with respect to the N-C(=O)-N fragment. The two -NH- fragments of one mol-ecule form hydrogen bonds [2.845 (2) Å] to the C=O fragment of an adjacent mol-ecule, giving rise to the formation of a linear hydrogen-bonded chain.
  5. Yehye WA, Ariffin A, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 May 03;64(Pt 6):o961.
    PMID: 21202691 DOI: 10.1107/S1600536808011768
    In the planar title mol-ecule, C(16)H(16)N(2)O(4)·C(2)H(6)O, the planar Schiff base molecule is linked to the ethanol solvent mol-ecule by a hydr-oxy-amide hydrogen bond. The hydr-oxy group of the ethanol mol-ecule is a hydrogen-bond donor to the double-bonded N atom of an adjacent Sciff base, pairs of interactions taking place across a center of symmetry and giving rise to a hydrogen-bonded dimer.
  6. Yehye WA, Rahman NA, Ariffin A, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Aug 23;64(Pt 9):o1824.
    PMID: 21201799 DOI: 10.1107/S1600536808026846
    In the crystal structure of the title Schiff-base, C(20)H(21)N(3)O(4), the amino group forms an N-H⋯O hydrogen bond to the acetyl group of an adjacent mol-ecule, forming a zigzag chain. The 2-hydr-oxy group is inter-nally hydrogen bonded to the amido group though an O-H⋯O hydrogen bond.
  7. Quah CK, Jebas SR, Fun HK
    Acta Crystallogr Sect E Struct Rep Online, 2008 Sep 06;64(Pt 10):o1878-9.
    PMID: 21201092 DOI: 10.1107/S1600536808027761
    The asymmetric unit of the title compound, C(5)H(7)N(2) (+)·C(7)H(4)NO(4) (-)·C(7)H(5)NO(4), consists of an amino-pyridinium cation, a 4-nitro-benzoate anion and a neutral 4-nitro-benzoic acid mol-ecule. The pyridine ring forms dihedral angles of 64.70 (5)° and 70.37 (5)°, respectively, with the benzene rings of 4-nitro-benzoic acid and 4-nitro-benzoate. In the crystal structure, the cations, anions and the neutral 4-nitro-benzoic acid mol-ecules are linked by O-H⋯O and N-H⋯O hydrogen bonds, forming a two-dimensional network parallel to (001). Adjacent networks are cross-linked via C-H⋯O hydrogen bonds and π-π stacking inter-actions [centroid-centroid distances 3.6339 (6) and 3.6566 (6) Å].
  8. Khaledi H, Mohd Ali H, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Oct 11;64(Pt 11):o2107.
    PMID: 21580971 DOI: 10.1107/S160053680803198X
    The C(10)H(8)N(3)S(2) portion of the title mol-ecule, C(17)H(15)N(3)S(3), is nearly planar (r.m.s. deviation 0.05 Å); this unit and the phenyl ring subtend an angle of 114.5 (2)° at the methyl-ene C atom.
  9. Fun HK, Kia R
    Acta Crystallogr Sect E Struct Rep Online, 2008 Oct 18;64(Pt 11):o2131.
    PMID: 21580993 DOI: 10.1107/S1600536808033588
    The mol-ecule of the title Schiff base compound, C(16)H(12)Cl(4)N(2), lies across an inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The imine groups are coplanar with the aromatic rings. Within the mol-ecule, the planar units are parallel but extend in opposite directions from the dimethyl-ene bridge. In the crystal structure, mol-ecules are linked together by inter-molecular C-H⋯Cl hydrogen bonds along the a axis.
  10. Khaledi H, Mohd Ali H, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Nov 26;64(Pt 12):m1615.
    PMID: 21581208 DOI: 10.1107/S1600536808038580
    In the title compound, [Ni(C(17)H(14)N(3)S(2))(2)]·2C(3)H(7)NO, the Ni atom (site symmetry ) is N,S-chelated by two deprotonated Schiff base anions in a distorted square-planar geometry. The dihedral angle between the aromatic ring planes within the ligand is 86.37 (13)°. In the crystal structure, an N-H⋯O hydrogen bond links the complex to the dimethyl-formamide solvent mol-ecule.
  11. Khaledi H, Mohd Ali H, Ng SW
    Acta Crystallogr Sect E Struct Rep Online, 2008 Nov 26;64(Pt 12):o2430.
    PMID: 21581398 DOI: 10.1107/S1600536808038579
    In the title compound, C(18)H(17)N(3)S(2), the dihedral angle between the planes of the aromatic ring systems is 83.63 (16)°. In the crystal structure, inversion dimers occur, linked by pairs of N-H⋯S hydrogen bonds.
  12. Maizathul Akmam AB, Abdullah Z, Ng SW
    PMID: 21581732 DOI: 10.1107/S1600536808041184
    The two aromatic rings in the title compound, C(10)H(8)ClN(3), open the angle at the planar N atom to 128.00 (12)°. The amino N atom of one mol-ecule forms a hydrogen bond to the 1-N atom of an adjacent pyrimidyl ring, generating a hydrogen-bonded dimer.
  13. Wan Saffiee WA, Idris A, Aiyub Z, Abdullah Z, Ng SW
    PMID: 21581731 DOI: 10.1107/S1600536808041160
    The aromatic and the aromatic fused-rings in the title compound, C(15)H(13)N(3), open the angle at the planar N atom to 130.07 (13) and 129.98 (13)° in the two independent mol-ecules in the asymmetric unit. The amino N atom of one mol-ecule forms a hydrogen bond to the 4-N atom of an adjacent quinoxalinyl ring, generating a supra-molecular chain.
  14. Kee CH, Thomas NF, Ariffin A, Awang K, Ng SW
    PMID: 21581068 DOI: 10.1107/S1600536808034569
    In the title mol-ecule, C(25)H(19)NO(2), the furyl ring is twisted by 46.3 (1)° with respect to the phenyl-ene ring bearing the amido group. In the stilbene unit, the two phenyl-ene rings (i.e. the rings connected through the -CH=CH- fragment) are twisted by 59.2 (1)°; in the biphenyl-ene unit, the two benzene rings are twisted by 35.5 (1)°. In the crystal structure, mol-ecules are linked by an N-H⋯O(amido) hydrogen bond into a zigzag chain running along the c axis.
  15. Ng SW
    PMID: 21581053 DOI: 10.1107/S1600536808034442
    The asymmetric unit of the title cocrystal, C(6)H(12)N(4)·2C(6)H(5)NO(3)·H(2)O, contains four formula units, which are linked by O-H⋯O and O-H⋯N hydrogen bonds into chains in the crystal. The crystal studied was a non-merohedral twin, with a minor twin component of 19%.
  16. Kia R, Fun HK
    PMID: 21581029 DOI: 10.1107/S1600536808033916
    The asymmetric unit of the title Schiff base compound, C(16)H(12)Cl(2)F(2)N(2), contains one half of the centrosymmetric mol-ecule. Mol-ecules related by translation along the a axis form stacks with short inter-molecular C⋯C distances of 3.429 (3) Å. The crystal packing also exhibits short inter-molecular Cl⋯F contacts of 3.087 (1) Å.
  17. Quah CK, Jebas SR, Fun HK
    PMID: 21581084 DOI: 10.1107/S1600536808034934
    In the title compound, C(5)H(7)N(2) (+)·C(7)H(5)O(3) (-), the carboxyl-ate mean plane of the 4-hydroxy-benzoate anion is twisted by 8.78 (5)° from the attached ring. The cations and anions are linked via O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, π-π inter-actions involving the benzene and pyridinium rings, with centroid-centroid distances of 3.5500 (6) and 3.6594 (6) Å, are observed.
  18. Khaldei H, Mohd Ali H, Ng SW
    PMID: 21581410 DOI: 10.1107/S1600536808038592
    The asymmetric unit of the title compound, C(26)H(25)N(3)O(2)S(2), contains two independent mol-ecules, which are linked by a pair of N-H⋯S hydrogen bonds, forming a dimer.
  19. Fairuz ZA, Aiyub Z, Abdullah Z, Ng SW
    PMID: 21581409 DOI: 10.1107/S1600536808037306
    There are two mol-ecules in the asymmetric unit of the title compound, C(12)H(12)N(2), with dihedral angles between the aromatic rings of 48.35 (12) and 51.02 (12)°. In the crystal structure, both mol-ecules form inversion dimers, linked by pairs of N-H⋯N hydrogen bonds.
  20. Wan Saffiee WA, Idris A, Aiyub Z, Abdullah Z, Ng SW
    PMID: 21581408 DOI: 10.1107/S160053680803729X
    The two aromatic systems in the title compound, C(11)H(11)N(3), are inclined by 19.1 (1)°, whilst the angle at the central amino N atom is 130.3 (2)°. The amino group forms a hydrogen bond to the pyrazine N-4 atom of an adjacent mol-ecule, forming a chain motif.
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