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Cytenamide trifluoro-acetic acid solvate.

ABSTRACT: Cytenamide forms a 1:1 solvate with trifluoro-acetic acid (systematic name: 5H-dibenzo[a,d]cyclo-hepta-triene-5-carboxamide trifluoro-acetic acid solvate), C(16)H(13)NO·C(2)HF(3)O(2). The compound crystallizes with one mol-ecule of cytenamide and one of trifluoro-acetic acid in the asymmetric unit; these are linked by O-H?O and N-H?O hydrogen bonds to form an R(2) (2)(8) motif. The trifluoro-methyl group of the solvent mol-ecule displays rotational disorder over two sites, with site-occupancy factors of 0.964?(4) and 0.036?(4).

SUBMITTER: Johnston A 

PROVIDER: S-EPMC2961719 | biostudies-literature | 2008 Jun

REPOSITORIES: biostudies-literature

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Cytenamide trifluoro-acetic acid solvate.

Johnston Andrea A   Florence Alastair J AJ   Fabbiani Francesca J A FJ   Shankland Kenneth K   Bedford Colin T CT   Bardin Julie J  

Acta crystallographica. Section E, Structure reports online 20080607 Pt 7

Cytenamide forms a 1:1 solvate with trifluoro-acetic acid (systematic name: 5H-dibenzo[a,d]cyclo-hepta-triene-5-carboxamide trifluoro-acetic acid solvate), C(16)H(13)NO·C(2)HF(3)O(2). The compound crystallizes with one mol-ecule of cytenamide and one of trifluoro-acetic acid in the asymmetric unit; these are linked by O-H⋯O and N-H⋯O hydrogen bonds to form an R(2) (2)(8) motif. The trifluoro-methyl group of the solvent mol-ecule displays rotational disorder over two sites, with site-occupancy fa  ...[more]

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