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Crystal structure of O-ethyl N-(eth-oxy-carbon-yl)thio-carbamate.

ABSTRACT: The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of inter-est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077?Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thio-carbonyl moieties are anti to each other across the central conjugated C-N-C moiety. Pairs of 2.54?Å N-H?S=C hydrogen bonds between adjacent mol-ecules form centrosymmetric dimers in the crystal.

SUBMITTER: Henley MJ

PROVIDER: S-EPMC4647380 | biostudies-literature | 2015 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of O-ethyl N-(eth-oxy-carbon-yl)thio-carbamate.

Henley Matthew J MJ Schrader Alex M AM Young Victor G VG Barany George G

Acta crystallographica. Section E, Crystallographic communications 20150926 Pt 10

The title compound, C6H11NO3S, provides entries to novel carbamoyl disulfanes and related compounds of inter-est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thio-carbonyl moieties are anti to each other across the central conjugated C-N-C moiety. Pairs of 2.54 Å N-H⋯S= ...[more]

PMID: 26594477

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