Browsing by Author "Sheeba, M. Mary"

Now showing 1 - 2 of 2
  • No Thumbnail Available
    Item
    1-Benzoyl-3-(4-chlorophenyl)thiourea dichloromethane hemisolvate
    (International Union of Crystallography, 2012-11-10) Selvakumaran, N; Sheeba, M. Mary; Karvembu, R Ng,; Ng, Seik Weng; Tiekink, Edward R. T.
    In the title hemisolvate, C14H11ClN2OS·0.5CH2Cl2, an anti disposition is found for the thione and ketone atoms, as well as the N-H H atoms; the dichloromethane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0.021 Å) owing to the presence of an intramolecular N-H⋯O hydrogen bond, which closes an S(6) loop. Significant twists are evident in the molecule, the dihedral angles between the central moiety and the phenyl and benzene rings being 29.52 (7) and 40.02 (7)°, respectively. In the crystal, eight-membered {⋯HNC= S}2 synthons with twofold symmetry form via N-H⋯S hydrogen bonds. The dimers are connected into a supramolecular chain along [111] by C-H⋯O interactions. The chains stack along the c axis, forming columns which define channels in which the occluded dichloromethane molecules reside.
  • No Thumbnail Available
    Item
    3-Benzoyl-1-(2-methoxyphenyl)thiourea
    (International Union of Crystallography, 2012-11-03) Selvakumaran, N; Sheeba, M. Mary; Karvembu, R; Ng, Seik Weng; Tiekink, Edward R. T.
    In the title compound, C15H14N2O2S, the central C2N2OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336 Å). This is ascribed to the formation of an S(6) loop stabilized by an intramolecular N-H⋯O hydrogen bond; additional intramolecular N-H⋯O and C-H⋯S contacts are also noted. The dihedral angles between the central unit and the phenyl and benzene rings are 23.79 (7) and 29.52 (5)°, respectively. The thione S and ketone O atoms are mutually anti, as are the N-H H atoms; the O atoms lie to the same side of the molecule. Centrosymmetric eight-membered {⋯HNC=S}2 synthons feature in the crystal packing. The resulting inversion dimers stack along the a axis and are connected into a three-dimensional structure by C-H⋯O and C-H⋯π interactions.