Powder study of propanthioamide dervative C8H6N2S2

The crystal structure of 2‐cyano‐3‐(2‐thienyl)prop‐2‐enethioamide (C8H6N2S2), a propanethioamide derivative was solved from high resolution laboratory X‐ray powder diffraction data collected at ambient conditions. Structure determination was performed by means of the global optimization method of simulated annealing at a resolution of 1.5 Å. Rietveld refinement yielded an RWP value of 4.02% (P21/a, a = 15.8174(2) Å, b = 5.6502(1) Å, c = 11.0952(1) Å, β = 116.9923(7)°, V = 883.6(5) Å3, Z = 4). The molecules are stacked in parallel layers and are stabilized by hydrogen bonds. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) … celý popis

Podrobná bibliografie

Publikováno v

Crystal research and technology (1979) Ročník 44; číslo 3; s. 346 - 350

Hlavní autoři

Dinnebier, R. E., Moustafa, A. M.

Typ dokumentu

Journal Article

Jazyk

English

Vydáno

Berlin WILEY-VCH Verlag 01. 03. 2009
WILEY‐VCH Verlag

Témata

structure determination

X-ray diffraction

Bibliografie

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ArticleID:CRAT200800503
ObjectType-Article-2
SourceType-Scholarly Journals-1
ObjectType-Feature-1
content type line 23

ISSN

0232-1300
1521-4079

DOI

10.1002/crat.200800503