Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 12 (December 2013)

organic compounds

Acta Cryst. (2013). E69, o1760    [ doi:10.1107/S1600536813030250 ]

A monoclinic polymorph of 1-benzoyl-4-thio­biuret

N. Kim, H. Kim and S. K. Kang

Abstract: The title compound, C9H9N3O2S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013). Acta Cryst. E69, o1327]. The mol­ecule is almost planar with an r.m.s. deviation of 0.069 Å from the mean plane of all non-H atoms. The benzoyl and terminal thio­urea fragments adopt a transoid conformation with respect to the central carbonyl O atom. Two intra­molecular N-H...O hydrogen bonds are present. In the crystal, N-H...O and N-H...S inter­actions link the mol­ecules into zigzag chains extending along the c-axis direction.

CCDC reference: 970260

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