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Crystal structure of N-(4-oxo-2-sulfanyl-idene-1,3-thia-zolidin-3-yl)-2-(thio-phen-3-yl)acetamide.

ABSTRACT: The title compound, C9H8N2O2S3, crystallizes with two mol-ecules (A and B) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209?Å) and are linked by an N-H?O hydrogen bond. In both mol-ecules, the thio-phene rings show orientational disorder, with occupancy factors of 0.6727?(17) and 0.3273?(17) for mol-ecule A, and 0.7916?(19) and 0.2084?(19) for mol-ecule B. The five-membered rings make an angle of 79.7?(2)° in mol-ecule A and an angle of 66.8?(2)° in mol-ecule B. In the crystal, chains of mol-ecules running along the a-axis direction are linked by N-H?O hydrogen bonds. The inter-action of adjacent chains through N-H?O hydrogen bonds leads to two types of ring structures containing four mol-ecules and described by the graph-set motifs R44(18) and R42(14).

SUBMITTER: Vu Quoc T 

PROVIDER: S-EPMC5458320 | biostudies-literature | 2017 Jun

REPOSITORIES: biostudies-literature

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Crystal structure of <i>N</i>-(4-oxo-2-sulfanyl-idene-1,3-thia-zolidin-3-yl)-2-(thio-phen-3-yl)acetamide.

Vu Quoc Trung T   Nguyen Ngoc Linh L   Nguyen Tien Cong C   Thang Pham Chien C   Van Meervelt Luc L  

Acta crystallographica. Section E, Crystallographic communications 20170531 Pt 6

The title compound, C<sub>9</sub>H<sub>8</sub>N<sub>2</sub>O<sub>2</sub>S<sub>3</sub>, crystallizes with two mol-ecules (<i>A</i> and <i>B</i>) in the asymmetric unit. Both have similar conformations (overlay r.m.s. deviation = 0.209 Å) and are linked by an N-H⋯O hydrogen bond. In both mol-ecules, the thio-phene rings show orientational disorder, with occupancy factors of 0.6727 (17) and 0.3273 (17) for mol-ecule <i>A</i>, and 0.7916 (19) and 0.2084 (19) for mol-ecule <i>B</i>. The five-membered  ...[more]

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