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3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile

In the title compound, C(33)H(24)F(2)N(2)O(2), the cyclo­hexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluoro­phenyl and fluoro­benzoyl rings are inclined to one another by 31.04 (10)°. The...

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Autores principales: Narayana, B., Sapnakumari, M, Sarojini, Balladka K., Jasinski, Jerry P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051101/
https://www.ncbi.nlm.nih.gov/pubmed/24940301
http://dx.doi.org/10.1107/S1600536814012197
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author Narayana, B.
Sapnakumari, M
Sarojini, Balladka K.
Jasinski, Jerry P.
author_facet Narayana, B.
Sapnakumari, M
Sarojini, Balladka K.
Jasinski, Jerry P.
author_sort Narayana, B.
collection PubMed
description In the title compound, C(33)H(24)F(2)N(2)O(2), the cyclo­hexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluoro­phenyl and fluoro­benzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluoro­phenyl and fluoro­benzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked via pairs of O—H⋯N hydrogen bonds, forming inversion dimers. The dimers are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming chains along the c-axis direction. C—H⋯F hydrogen bonds link the chains into sheets lying parallel to the bc plane.
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spelling pubmed-40511012014-06-17 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile Narayana, B. Sapnakumari, M Sarojini, Balladka K. Jasinski, Jerry P. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(33)H(24)F(2)N(2)O(2), the cyclo­hexane ring adopts a slightly distorted chair conformation. The dihedral angle between the planes of the phenyl rings is 71.80 (9)°, while the planes of the fluoro­phenyl and fluoro­benzoyl rings are inclined to one another by 31.04 (10)°. The dihedral angles between the planes of the phenyl ring adjacent to the 4-hydroxy group and those of the the fluoro­phenyl and fluoro­benzoyl rings are 51.64 (10) and 34.31 (10)°, respectively, while the corresponding angles for the phenyl ring adjacent to the 3-(4-fluorobenzoyl) group are 57.51 (9) and 85.02 (10)°, respectively. An intra­molecular O—H⋯O hydrogen bond generates an S(6) ring motif. In the crystal, mol­ecules are linked via pairs of O—H⋯N hydrogen bonds, forming inversion dimers. The dimers are linked via C—H⋯N and C—H⋯O hydrogen bonds, forming chains along the c-axis direction. C—H⋯F hydrogen bonds link the chains into sheets lying parallel to the bc plane. International Union of Crystallography 2014-05-31 /pmc/articles/PMC4051101/ /pubmed/24940301 http://dx.doi.org/10.1107/S1600536814012197 Text en © Narayana et al. 2014 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
Narayana, B.
Sapnakumari, M
Sarojini, Balladka K.
Jasinski, Jerry P.
3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_full 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_fullStr 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_full_unstemmed 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_short 3-(4-Fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
title_sort 3-(4-fluoro­benzo­yl)-4-(4-fluoro­phen­yl)-4-hy­droxy-2,6-di­phenyl­cyclo­hexane-1,1-dicarbo­nitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051101/
https://www.ncbi.nlm.nih.gov/pubmed/24940301
http://dx.doi.org/10.1107/S1600536814012197
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