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A new monoclinic polymorph of 3-diethyl­amino-4-(4-meth­oxy­phen­yl)-1,1-dioxo-4H-1λ6,2-thia­zete-4-carbonitrile

Authors
Journal
Acta Crystallographica Section E Structure Reports Online
1600-5368
Publisher
International Union of Crystallography
Publication Date
Volume
66
Issue
8
Identifiers
DOI: 10.1107/s1600536810027558
Keywords
  • Organic Papers

Abstract

A new monoclinic form of the title compound, C14H17N3O3S, has been found upon slow crystallization from water. Another monoclinic form of the compound was obtained previously from a mixture of dichloro­methane and diethyl ether [Clerici et al. (2002 ▶). Tetra­hedron, 58, 5173–5178]. Both phases crystallize in space group P21/n with one mol­ecule in the asymmetric unit. The formally single exocyclic C—N bond that connects the –NEt2 unit with the thia­zete ring is considerably shorter than the adjacent, formally double, endocyclic C=N bond. This is likely to be due to the extended conjugated system between the electron-donor diethyl­ammine fragment and the electron-withdrawing sulfonyl group. In the newly discovered polymorph, the meth­oxy group is rotated by almost 180° around the phen­yl–OCH3 bond, resulting in a different mol­ecular conformation.

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