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, Nguyen Ngoc, Linh, Nguyen Tien, Cong, Thang Pham, Chien and Van Meervelt, Luc ORCID: 0000-0003-2186-5209 (2017) Crystal structure of <i>N</i>-(4-oxo-2-sulfanyl-idene-1,3-thia-zolidin-3-yl)-2-(thio-phen-3-yl)acetamide. Acta crystallographica. Section E, Crystallographic communications, 73 (Pt 6). pp. 901-904.

Text Crystal structure of N-(4-oxo-2-sulfanyl-idene-1,3-thia-zolidin-3-yl)-2-(thio-phen-3-yl)acetamide.pdf - Published version Download (729kB) | Preview

Abstract

The title compound, C₉H₈N₂O₂S₃, 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 rings make an angle of 79.7 (2)° in mol-ecule <i>A</i> and an angle of 66.8 (2)° in mol-ecule <i>B</i>. In the crystal, chains of mol-ecules running along the <i>a</i>-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 <i>R</i>₄⁴(18) and <i>R</i>₄²(14).

Item Type:	Article
Uncontrolled Keywords:	crystal structure, polythio­phene, rhodanine, thia­zolidine, thio­phene
Depositing User:	Symplectic Admin
Date Deposited:	30 May 2019 09:41
Last Modified:	19 Jan 2023 00:42
DOI:	10.1107/s2056989017007629
Related URLs:	Author Publisher
URI:	https://livrepository.liverpool.ac.uk/id/eprint/3043324