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Crystal structure of N-carbamo-thioyl-2-methyl-benzamide.

ABSTRACT: There are two mol-ecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamo-thioyl group is 52.31?(7)° and in the other it is 36.16?(6)°. Each mol-ecule features an intra-molecular N-H?O hydrogen bond, which generates an S(6) ring and the O and S atoms have an anti disposition. In the crystal, mol-ecules are linked by N-H?S and N-H?O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C-H?O and C-H?S inter-actions are also observed.

SUBMITTER: Adam F

PROVIDER: S-EPMC4459304 | biostudies-literature | 2015 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of N-carbamo-thioyl-2-methyl-benzamide.

Adam Farook F Ameram Nadiah N Tan Wai Mun WM

Acta crystallographica. Section E, Crystallographic communications 20150528 Pt 6

There are two mol-ecules in the asymmetric unit of the title compound, C9H10N2OS. In one, the dihedral angle between the aromatic ring and the carbamo-thioyl group is 52.31 (7)° and in the other it is 36.16 (6)°. Each mol-ecule features an intra-molecular N-H⋯O hydrogen bond, which generates an S(6) ring and the O and S atoms have an anti disposition. In the crystal, mol-ecules are linked by N-H⋯S and N-H⋯O hydrogen bonds, generating separate [130] and [1-30] infinite chains. Weak C-H⋯O and C-H⋯ ...[more]

PMID: 26090205

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