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  1. Fun HK, Chia TS, Shetty S, Kalluraya B, Nithinchandra
    Acta Crystallogr Sect E Struct Rep Online, 2012 Oct 1;68(Pt 10):o3055-6.
    PMID: 23125816 DOI: 10.1107/S1600536812039815
    In the title compound, C(22)H(19)N(5)OS·H(2)O, the naphthalene ring system and the benzene ring [dihedral angle = 85.19 (8)°] make dihedral angles of 87.02 (9) and 14.41 (10)°, respectively, with the pyrazole ring. The mean plane through the 2-methyl-enehydrazinecarbothio-amide group [C-N-N-C(=S)-N; maximum deviation = 0.022 (1) Å] is slightly twisted from the pyrazole ring [dihedral angle = 5.60 (11)°]. In the crystal, mol-ecules are linked by N-H⋯S, N-H⋯O, O-H⋯S, O-H⋯N and C-H⋯S hydrogen bonds into sheets parallel to the ab plane. π-π inter-actions are also observed [centroid-to-centroid distances = 3.7778 (12) and 3.7010 (12) Å].
  2. Fun HK, Chidan Kumar CS, Patrao P, Khader AM, Kalluraya B
    Acta Crystallogr Sect E Struct Rep Online, 2013 Apr 1;69(Pt 4):o491-2.
    PMID: 23634043 DOI: 10.1107/S1600536813005837
    The asymmetric unit of the title compound, C26H18N6O4S, contains two independent mol-ecules (A and B). The dihedral angles between the oxadiazole ring and naphthalene ring system are 42.59 (14) and 6.88 (14) Å in mol-ecules A and B, respectively. The dihedral angles between the pyridine and benzene rings in A and B are 65.53 (13 )and 87.67 (13) Å, respectively. In the crystal, mol-ecules A and B are linked through a pair of N-H⋯N hydrogen bonds involving one -NH2 group H atom and second pair of N-H⋯N hydrogen bonds involving the other -NH2 group H atom, forming an -ABAB- ribbon along [100] containing R 2 (2)(8) and R 2 (2)(12) ring motifs. These ribbons are further connected by weak C-H⋯N, C-H⋯O and C-H⋯π inter-actions, resulting in a three-dimensional network. The crystal studied was a non-merohedral twin with refined components 0.906 (1):0.094 (1).
  3. Fun HK, Chia TS, Frank PV, Poojary M, Kalluraya B
    Acta Crystallogr Sect E Struct Rep Online, 2012 Oct 1;68(Pt 10):o2988-9.
    PMID: 23125763 DOI: 10.1107/S1600536812039621
    In the title compound, C(14)H(15)N(5)O(4), the central -C=N-N-C(=O)-C- bridge is nearly planar [maximum deviation = 0.037 (1) Å] and forms dihedral angles of 7.37 (9) and 73.33 (5)°, respectively, with the benzene and imidazole rings. The dihedral angle between the benzene and imidazole rings is 66.08 (9)°. The meth-oxy and nitro groups are nearly coplanar with the benzene and imidazole rings, respectively, with a C-O-C-C torsion angle of 5.9 (2)° and an O-N-C-C angle of -0.2 (2)°. In the crystal, mol-ecules are linked by a pair of N-H⋯O hydrogen bonds with an R(2) (2)(8) ring motif, forming an inversion dimer. The dimers are further inter-connected by C-H⋯O hydrogen bonds into a sheet parallel to the (111) plane. A C-H⋯π inter-action is also observed between the sheets.
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