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- Title
Powder study of propanthioamide dervative C8H6N2S2.
- Authors
R. E. Dinnebier; A. M. Moustafa
- Abstract
The crystal structure of 2cyano32thienylprop2enethioamide C8H6N2S2, a propanethioamide derivative was solved from high resolution laboratory Xray 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 P21a, a 15.81742 Å, b 5.65021 Å, c 11.09521 Å, β 116.99237°, V 883.65 Å3, Z 4. The molecules are stacked in parallel layers and are stabilized by hydrogen bonds. © 2009 WILEYVCH Verlag GmbH & Co. KGaA, Weinheim
- Subjects
MOLECULAR structure; PROPANE; X-ray diffraction; HYDROGEN bonding; PYRIMIDINES; ANNEALING of crystals
- Publication
Crystal Research & Technology, 2009, Vol 44, Issue 3, p346
- ISSN
0232-1300
- Publication type
Article
- DOI
10.1002/crat.200800503