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Crystal structure of a monoclinic polymorph of 5-amino-1,3,4-thia-diazol-2(3H)-one.

ABSTRACT: The title compound, C2H3N3OS, is a monoclinic (P21/c) polymorph of the previously reported triclinic structure [Kang et al. (2012 ?). Acta Cryst. E68, o1198]. The asymmetric unit contains two independent mol-ecules which are essentially planar, with r.m.s. deviations of 0.001 and 0.032?Å from the mean plane defined by the seven non-H atoms. In the crystal, N-H?N and N-H?O hydrogen bonds link the mol-ecules into a sheet parallel to (111).

SUBMITTER: Kim N

PROVIDER: S-EPMC4186073 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of a monoclinic polymorph of 5-amino-1,3,4-thia-diazol-2(3H)-one.

Kim Namhun N Kang Sung Kwon SK

Acta crystallographica. Section E, Structure reports online 20140801 Pt 9

The title compound, C2H3N3OS, is a monoclinic (P21/c) polymorph of the previously reported triclinic structure [Kang et al. (2012 ▶). Acta Cryst. E68, o1198]. The asymmetric unit contains two independent mol-ecules which are essentially planar, with r.m.s. deviations of 0.001 and 0.032 Å from the mean plane defined by the seven non-H atoms. In the crystal, N-H⋯N and N-H⋯O hydrogen bonds link the mol-ecules into a sheet parallel to (111). ...[more]

PMID: 25309254

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