Publication Date:
2021-03-29
Description:
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).
Keywords:
single-crystal X-ray study; T = 160 K; mean (C–C) = 0.006 A° ; disorder in solvent or counterion; R factor = 0.080; wR factor = 0.178; data-toparameter ratio = 12.6.
;
551
Language:
English
Type:
article
,
publishedVersion
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