Cytenamide trifluoroacetic acid solvate

Johnston, Andrea
Florence, Alastair J.
Fabbiani, Francesca J. A.
Shankland, Kenneth
Bedford, Colin T.
Bardin, Julie
Journal: Acta Crystallographica Section E Structure Reports Online; 647; 2008; p. o1215 - o1216
DOI: https://doi.org/10.1107/S1600536808016577
Johnston, Andrea; Florence, Alastair J.; Fabbiani, Francesca J. A.; Shankland, Kenneth; Bedford, Colin T.; Bardin, Julie, 2008: Cytenamide trifluoroacetic acid solvate. In: Johnston, Andrea; Florence, Alastair J.; Fabbiani, Francesca J. A.; Shankland, Kenneth; Bedford, Colin T.; Bardin, Julie (2008): Cytenamide trifluoroacetic acid solvate - Acta Crystallographica Section E Structure Reports Online, Vol. 64, Nr. 7, p. o1215-o1216, DOI 10.1107/S1600536808016577.
 
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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 R2 2(8) motif. The trifluoromethyl group of the solvent molecule displays rotational disorder over two sites, with siteoccupancy factors of 0.964 (4) and 0.036 (4).
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