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Cytenamide trifluoroacetic acid solvate

Johnston, Andrea and Florence, Alastair J. and Fabianni, Francesca J. A. and Shankland, Kenneth and Bedford, Colin T. and Bardin, Julie (2008) Cytenamide trifluoroacetic acid solvate. Acta Crystallographica Section E: Structure Reports, 64 (7). pp. 1215-1216. ISSN 1600-5368

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Abstract

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-HO and N-HO 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).