Cytenamide trifluoro­acetic acid solvate

Johnston, A.; Florence, A.J.; Fabbiani, F.J.A.; Shankland, K.; Bedford, C.T.; Bardin, J.

doi:10.1107/S1600536808016577

Acta Crystallographica Section E

Structure Reports Online

Volume 64, Part 7 (July 2008)

organic compounds

Acta Cryst. (2008). E64, o1215-o1216 [ doi:10.1107/S1600536808016577 ]

Cytenamide trifluoroacetic acid solvate

A. Johnston, A. J. Florence, F. J. A. Fabbiani, K. Shankland, C. T. Bedford and J. Bardin

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).