Browsing by Author "Gunasekaran, N"

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    1-Benzoyl-3,3-bis(propan-2-yl)thiourea
    (International Union of Crystallography, 2010-07-24) Gunasekaran, N; Karvembu, R; Ng, Seik Weng; Tiekink, Edward R. T.
    Two independent thiourea derivatives comprise the asymmetric unit of the title compound, C14H20N2OS. The major difference between the mol-ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and -19.9 (2)° for the two independent mol-ecules]. The thio-carbonyl and carbonyl groups lie to opposite sides of the mol-ecule as there are twists about the central N - S bond [torsion angles = 83.90 (15) and 81.77 (15)°]. Supra-molecular chains extending parallel to [101] with a stepped topology and mediated by N - H⋯O hydrogen bonding feature in the crystal structure. C - H⋯O and C - H⋯π inter-actions are also present.
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    1-Benzoyl-3,3-dibutylthiourea
    (International Union of Crystallography, 2010-09-25) Gunasekaran, N; Karvembu, R; Ng, Seik Weng; Tiekink, Edward R. T.
    The title molecule, C16H24N2OS, is twisted about the central N(H) - C bond with a C - N(H) - C - N torsion angle of -62.67 (15)°. The carbonyl group is twisted out of the plane of the benzene ring, forming a C - C - C=O torsion angle of -25.06 (17)°. In the crystal, molecules related by centres of symmetry are linked by pairs of inter-molecular N - H⋯S hydrogen bonds, forming eight-membered {⋯HNCS}2 synthons. These are further connected by weak via C - H⋯O contacts, forming a two-dimensional array in the bc plane.
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    1-Benzoyl-3-methyl-3-pentylthiourea
    (International Union of Crystallography, 2011-04-16) Gunasekaran, N; Jerome, P; Karvembu, R; Ng, Seik Weng; Tiekink, Edward R. T.
    Two independent molecules comprise the asymmetric unit of the title compound, C14H20N2OS. These differ in the relative orientations of the pentyl chains [C-C-C-C torsion angles = 176.7 (3) and 176.4 (3)°]. Significant twists are evident in each molecule, the dihedral angles formed between the thiourea and amide residues being 53.47 (17) and 55.81 (17)°. In the crystal, each molecule self-associates via a centrosymmetric eight-membered {⋯HNC S}2 synthon, and these are connected into a supramolecular chain along [110] via C-H⋯O contacts. Disorder is noted for one of the independent molecules in that two orientations (50:50) were resolved for its benzene ring.
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    3-Benzoyl-1,1-dibenzylthiourea
    (International Union of Crystallography, 2010-09-18) Gunasekaran, N; Karvembu, R; Ng, Seik Weng; Tiekink, Edward R. T.
    Two independent thio-urea molecules comprise the asymmetric unit of the title compound, C22H20N2OS. The central N-C(=S)N(H)C(=O) atoms in each molecule are virtually superimposable and each is twisted [C - N - C - S torsion angles = 121.3 (3) and -62.3 (4)°]. The molecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C - N - C - C torsion angles of -146.6 (3) and -132.9 (3)°]. The presence of N - H⋯S hydrogen bonding leads to the formation of supra-molecular chains along the a axis. These are consolidated in the crystal packing by C - H⋯O interactions. The crystal was found to be a combined non-merohedral and racemic twin (twin law 1̄00/01̄0/001), with the fractional contribution of the minor components being approximately 9 and 28%.