Browsing by Author "Haribabu, J"

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    Crystal structure of (2E)-N-methyl-2-(2-oxo-1,2-dihydroacenaphthylen-1-ylidene)hydrazinecarbothioamide
    (International Union of Crystallography, 2014-10-24) Vimala, G; Govindaraj, J; Haribabu, J; Karvembu, R; Subbiahpandi, A
    In the title compound, C14H11N3OS, the acenaphthylene ring system and hydrazinecarbothioamide unit (=N - NH - C=S - NH-) are essentially coplanar [with maximum deviations from their mean planes of -0.009 (2) and 0.033 (2) Å, respectively], and make a dihedral angle of 1.59 (9)°. The molecular conformation is stabilized by two weak intramolecular hydrogen bonds (N - H⋯O and N - H⋯N), which generate S(6) and S(5) ring motifs. In the crystal, molecules are linked by N - H⋯S hydrogen bonds, forming chains along [010]. The chains are linked via pairs of C - H⋯O hydrogen bonds, enclosing R 2 2(10) ring motifs, and C - H⋯π interactions, forming a three-dimensional framework. The absolute structure of the title compound was determined by resonant scattering.
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    Crystal structure of (Z)-2-(1-benzyl-2- oxoindolin-3-ylidene)-N-phenylhydrazine-1-carbothioamide
    (International Union of Crystallography, 2015-02-07) Vimala, G; Haribabu, J; Karvembu, R; Phani Kumar, B.V.N; SubbiahPandi, A
    The title compound, C22H18N4OS, crystallized with four independent molecules (A, B, C and D) in the asymmetric unit. All four molecules have a Z conformation about the C=N bond with the benzyl ring being inclined to the indoline ring mean planes by 73.4 (2), 77.9 (2), 73.2 (2) and 77.2 (2)° in molecules A, B, C and D, respectively. In molecules A and B, the phenyl ring is inclined to the mean plane of the indoline ring mean plane by 12.0 (2) and 12.2 (2)°, respectively. However, in molecules C and D, the same dihedral angles are larger, viz. 37.3 (2) and 36.4 (2)°, respectively. Consequently, the benzyl and phenyl rings are almost normal to one another in molecules A and B [dihedral angles = 80.3 (3) and 87.1 (3)°, respectively], while in molecules C and D, the same dihedral angles are only 48.8 (2) and 43.8 (3)°, respectively. There is an intramolecular N - H⋯O hydrogen bond in each molecule with an S(6) ring motif. There are also short intramolecular N - H⋯N and C - H⋯S contacts in each molecule. In the crystal, molecules are linked via C - H⋯S hydrogen bonds and C - H⋯π interactions, forming a three-dimensional structure. The crystal was refined as a non-merohedral twin with a final BASF value of 0.110 (1).