Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile

In the title compound, C(24)H(17)NO(2), the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydro­furan ring is close to twisted ((4) T (5)), with parameters Q = 0.1856 (16) Å and φ = 313.5...

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Autores principales: Rajni Swamy, V., Krishnakumar, R.V., Sivakumar, S., Srinivasan, N., Ranjith Kumar, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555400/
https://www.ncbi.nlm.nih.gov/pubmed/26396892
http://dx.doi.org/10.1107/S2056989015014887
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author Rajni Swamy, V.
Krishnakumar, R.V.
Sivakumar, S.
Srinivasan, N.
Ranjith Kumar, R.
author_facet Rajni Swamy, V.
Krishnakumar, R.V.
Sivakumar, S.
Srinivasan, N.
Ranjith Kumar, R.
author_sort Rajni Swamy, V.
collection PubMed
description In the title compound, C(24)H(17)NO(2), the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydro­furan ring is close to twisted ((4) T (5)), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Mol­ecules are inter­connected via a C—H⋯N and a C—H⋯O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R (4) (4)(28) and R (4) (4)(36) graph-set motifs. The furan O atom does not participate in inter­molecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å(3).
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spelling pubmed-45554002015-09-22 Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile Rajni Swamy, V. Krishnakumar, R.V. Sivakumar, S. Srinivasan, N. Ranjith Kumar, R. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(24)H(17)NO(2), the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O—C—C—O torsion angle is 4.62 (19)°. The puckering of the dihydro­furan ring is close to twisted ((4) T (5)), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Mol­ecules are inter­connected via a C—H⋯N and a C—H⋯O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R (4) (4)(28) and R (4) (4)(36) graph-set motifs. The furan O atom does not participate in inter­molecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7 (8) Å(3). International Union of Crystallography 2015-08-15 /pmc/articles/PMC4555400/ /pubmed/26396892 http://dx.doi.org/10.1107/S2056989015014887 Text en © Rajni Swamy et al. 2015 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 Data Reports
Rajni Swamy, V.
Krishnakumar, R.V.
Sivakumar, S.
Srinivasan, N.
Ranjith Kumar, R.
Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title_full Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title_fullStr Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title_full_unstemmed Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title_short Crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
title_sort crystal structure of 5-benzoyl-2,4-di­phenyl-4,5-di­hydro­furan-3-carbo­nitrile
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555400/
https://www.ncbi.nlm.nih.gov/pubmed/26396892
http://dx.doi.org/10.1107/S2056989015014887
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