Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one

In the title compound, C(21)H(15)NO(3), the mol­ecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the mol­ecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle betw...

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Autores principales: Shanthi, D., Vidhyasagar, T., Rajeswari, K., Kayalvizhi, M., Vasuki, G., Thiruvalluvar, A.
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/PMC4384577/
https://www.ncbi.nlm.nih.gov/pubmed/25878861
http://dx.doi.org/10.1107/S2056989015000523
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author Shanthi, D.
Vidhyasagar, T.
Rajeswari, K.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
author_facet Shanthi, D.
Vidhyasagar, T.
Rajeswari, K.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
author_sort Shanthi, D.
collection PubMed
description In the title compound, C(21)H(15)NO(3), the mol­ecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the mol­ecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitro­phenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, mol­ecules are linked via C—H⋯π inter­actions, involving the terminal benzene rings, forming corrugated layers parallel to (100).
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spelling pubmed-43845772015-04-15 Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one Shanthi, D. Vidhyasagar, T. Rajeswari, K. Kayalvizhi, M. Vasuki, G. Thiruvalluvar, A. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(15)NO(3), the mol­ecule has an E conformation about the C=C bond, and the C—C=C—C torsion angle is −178.24 (18)°. In the mol­ecule, the planes of the terminal rings are twisted by an angle of 42.19 (10)°, while the biphenyl part is not planar, with a dihedral angle between the rings of 39.2 (1)°. The dihedral angle between the nitro­phenyl ring and the inner benzene ring is 5.56 (9)°. The 3-nitro group is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 0.1 (3)°]. In the crystal, mol­ecules are linked via C—H⋯π inter­actions, involving the terminal benzene rings, forming corrugated layers parallel to (100). International Union of Crystallography 2015-01-17 /pmc/articles/PMC4384577/ /pubmed/25878861 http://dx.doi.org/10.1107/S2056989015000523 Text en © Shanthi 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
Shanthi, D.
Vidhyasagar, T.
Rajeswari, K.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_full Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_fullStr Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_full_unstemmed Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_short Crystal structure of (E)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_sort crystal structure of (e)-1-([1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384577/
https://www.ncbi.nlm.nih.gov/pubmed/25878861
http://dx.doi.org/10.1107/S2056989015000523
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