Cytenamide trifluoroacetic acid solvate

Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked...

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Published inActa crystallographica. Section E, Structure reports online Vol. 64; no. 7; pp. o1215 - o1216
Main Authors Johnston, Andrea, Florence, Alastair J., Fabbiani, Francesca J. A., Shankland, Kenneth, Bedford, Colin T., Bardin, Julie
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.07.2008
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Summary:Cytenamide forms a 1:1 solvate with trifluoroacetic acid (systematic name: 5H-dibenzo[a,d]cycloheptatriene-5-carboxamide trifluoroacetic acid solvate), C16H13NO·C2HF3O2. The compound crystallizes with one molecule of cytenamide and one of trifluoroacetic acid in the asymmetric unit; these are linked by O-H...O and N-H...O hydrogen bonds to form an R22(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).
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536808016577