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A monoclinic polymorph of 1-benzoyl-4-thio-biuret.

ABSTRACT: The title compound, C9H9N3O2S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013 ?). Acta Cryst. E69, o1327]. The mol-ecule 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 thio-urea fragments adopt a transoid conformation with respect to the central carbonyl O atom. Two intra-molecular N-H?O hydrogen bonds are present. In the crystal, N-H?O and N-H?S inter-actions link the mol-ecules into zigzag chains extending along the c-axis direction.

SUBMITTER: Kim N

PROVIDER: S-EPMC3885036 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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A monoclinic polymorph of 1-benzoyl-4-thio-biuret.

Kim Namhun N Kim Haneol H Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20131113 Pt 12

The title compound, C9H9N3O2S, is a monoclinic (C2/c) polymorph of the previously reported triclinic structure [Kang (2013 ▶). Acta Cryst. E69, o1327]. The mol-ecule 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 thio-urea fragments adopt a transoid conformation with respect to the central carbonyl O atom. Two intra-molecular N-H⋯O hydrogen bonds are present. In the crystal, N-H⋯O and N-H⋯S inter-actions link the mol-ecules i ...[more]

PMID: 24454211

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