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Crystal structure of N-[(methyl-sulfan-yl)carbon-yl]urea.

ABSTRACT: The almost planar (r.m.s. deviation = 0.055 Å) title compound, (MeS)C(O)NHC(O)NH2, was formed during an attempted crystallization of dimethyl cyano-carbonimidodi-thio-ate with CrO2Cl2; an unexpected redox reaction converted the cyano-carbonimido moiety to a urea group and removed one methyl-thiol group. In the crystal, hydrogen-bonding inter-actions from the amide and amido N-H groups to carbonyl O atoms of neighbouring mol-ecules result in [010] ribbon-like chains.

SUBMITTER: Diop MB

PROVIDER: S-EPMC4778815 | biostudies-literature | 2016 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of N-[(methyl-sulfan-yl)carbon-yl]urea.

Diop Mouhamadou Birame MB Diop Libasse L Oliver Allen G AG

Acta crystallographica. Section E, Crystallographic communications 20160213 Pt 3

The almost planar (r.m.s. deviation = 0.055 Å) title compound, (MeS)C(O)NHC(O)NH2, was formed during an attempted crystallization of dimethyl cyano-carbonimidodi-thio-ate with CrO2Cl2; an unexpected redox reaction converted the cyano-carbonimido moiety to a urea group and removed one methyl-thiol group. In the crystal, hydrogen-bonding inter-actions from the amide and amido N-H groups to carbonyl O atoms of neighbouring mol-ecules result in [010] ribbon-like chains. ...[more]

PMID: 27006798

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