Cytenamide trifluoro­acetic acid solvate

Cytenamide forms a 1:1 solvate with trifluoro­acetic acid (systematic name: 5H-dibenzo[a,d]cyclo­hepta­triene-5-carboxamide trifluoro­acetic acid solvate), C(16)H(13)NO·C(2)HF(3)O(2). The compound crystallizes with one mol­ecule of cytenamide and one of trifluoro­acetic acid in the asymmetric unit;...

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Autores principales: Johnston, Andrea, Florence, Alastair J., Fabbiani, Francesca J. A., Shankland, Kenneth, Bedford, Colin T., Bardin, Julie
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961719/
https://www.ncbi.nlm.nih.gov/pubmed/21202853
http://dx.doi.org/10.1107/S1600536808016577
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author Johnston, Andrea
Florence, Alastair J.
Fabbiani, Francesca J. A.
Shankland, Kenneth
Bedford, Colin T.
Bardin, Julie
author_facet Johnston, Andrea
Florence, Alastair J.
Fabbiani, Francesca J. A.
Shankland, Kenneth
Bedford, Colin T.
Bardin, Julie
author_sort Johnston, Andrea
collection PubMed
description Cytenamide forms a 1:1 solvate with trifluoro­acetic acid (systematic name: 5H-dibenzo[a,d]cyclo­hepta­triene-5-carboxamide trifluoro­acetic acid solvate), C(16)H(13)NO·C(2)HF(3)O(2). 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 R (2) (2)(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).
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spelling pubmed-29617192010-12-30 Cytenamide trifluoro­acetic acid solvate Johnston, Andrea Florence, Alastair J. Fabbiani, Francesca J. A. Shankland, Kenneth Bedford, Colin T. Bardin, Julie Acta Crystallogr Sect E Struct Rep Online Organic Papers Cytenamide forms a 1:1 solvate with trifluoro­acetic acid (systematic name: 5H-dibenzo[a,d]cyclo­hepta­triene-5-carboxamide trifluoro­acetic acid solvate), C(16)H(13)NO·C(2)HF(3)O(2). 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 R (2) (2)(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). International Union of Crystallography 2008-06-07 /pmc/articles/PMC2961719/ /pubmed/21202853 http://dx.doi.org/10.1107/S1600536808016577 Text en © Johnston et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Johnston, Andrea
Florence, Alastair J.
Fabbiani, Francesca J. A.
Shankland, Kenneth
Bedford, Colin T.
Bardin, Julie
Cytenamide trifluoro­acetic acid solvate
title Cytenamide trifluoro­acetic acid solvate
title_full Cytenamide trifluoro­acetic acid solvate
title_fullStr Cytenamide trifluoro­acetic acid solvate
title_full_unstemmed Cytenamide trifluoro­acetic acid solvate
title_short Cytenamide trifluoro­acetic acid solvate
title_sort cytenamide trifluoro­acetic acid solvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961719/
https://www.ncbi.nlm.nih.gov/pubmed/21202853
http://dx.doi.org/10.1107/S1600536808016577
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AT fabbianifrancescaja cytenamidetrifluoroaceticacidsolvate
AT shanklandkenneth cytenamidetrifluoroaceticacidsolvate
AT bedfordcolint cytenamidetrifluoroaceticacidsolvate
AT bardinjulie cytenamidetrifluoroaceticacidsolvate

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