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3-Benzoyl-1-[4-(methyl-sulfan-yl)phen-yl]thio-urea.

ABSTRACT: The title compound, C15H14N2OS2, adopts a helix conformation. An intra-molecular N-H?O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212?Å, maximum deviation = 0.033?(1)?Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl-sulfan-yl)benzene ring [r.m.s = 0.0028?Å and largest deviation of 0.067?(3)?Å for the methyl-sulfanyl C atom] make dihedral angles of 31.76?(8) and 54.68?(6)°, respectively, with the pseudo-ring plane. The dihedral angle between the benzene rings is 85.71?(8)°. In the crystal, pairs of weak N-H?S inter-actions form inversion dimers and mediate a linear chain along [001].

SUBMITTER: Castro Rde P

PROVIDER: S-EPMC3685073 | biostudies-literature | 2013 Jun

REPOSITORIES: biostudies-literature

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3-Benzoyl-1-[4-(methyl-sulfan-yl)phen-yl]thio-urea.

Castro Rosane de P Rde P Macedo Fernando C FC Brito Tiago O TO de Fátima Angelo A Sabino José R JR

Acta crystallographica. Section E, Structure reports online 20130518 Pt 6

The title compound, C15H14N2OS2, adopts a helix conformation. An intra-molecular N-H⋯O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl-sulfan-yl)benzene ring [r.m.s = 0.0028 Å and largest deviation of 0.067 (3) Å for the methyl-sulfanyl C atom] make dihedral angles of 31.76 (8) and 54.68 (6)°, respectively, with the pseudo-ring plane. The dihedral ...[more]

PMID: 23795092

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