Acta Crystallographica Section E (May 2011)

1-Benzoyl-3-methyl-3-pentylthiourea

  • N. Gunasekaran,
  • P. Jerome,
  • R. Karvembu,
  • Seik Weng Ng,
  • Edward R. T. Tiekink

DOI
https://doi.org/10.1107/S1600536811013365
Journal volume & issue
Vol. 67, no. 5
pp. o1149 – o1149

Abstract

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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.