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Cytenamide trifluoroacetic acid solvate

Johnston, A., Florence, A. J., Fabianni, F. J. A., Shankland, K., Bedford, C. T. and Bardin, J. (2008) Cytenamide trifluoroacetic acid solvate. Acta Crystallographica Section E: Structure Reports Online, 64 (7). o1215-o1216. ISSN 1600-5368

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To link to this article DOI: 10.1107/S1600536808016577

Abstract/Summary

Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a, d] cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO center dot C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds to form an R-2(2)(8) motif. The trifluoromethyl group of the solvent molecule displays rotational disorder over two sites, with site-occupancy factors of 0.964 (4) and 0.036 (4).

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > School of Pharmacy
ID Code:13714
Uncontrolled Keywords:PARALLEL CRYSTALLIZATION, PACKING MOTIFS, CARBAMAZEPINE, PATTERNS, 10,11-DIHYDROCARBAMAZEPINE
Publisher:International Union of Crystallography

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