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

The title compound, C(22)H(17)NO(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. Each mol­ecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In mol­ecule A, the planes of the terminal benzene rings ar...

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Autores principales: Vidhyasagar, T., Rajeswari, K., Shanthi, D., Kayalvizhi, M., Vasuki, G., Thiruvalluvar, A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331905/
https://www.ncbi.nlm.nih.gov/pubmed/25705435
http://dx.doi.org/10.1107/S2056989014025110
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author Vidhyasagar, T.
Rajeswari, K.
Shanthi, D.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
author_facet Vidhyasagar, T.
Rajeswari, K.
Shanthi, D.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
author_sort Vidhyasagar, T.
collection PubMed
description The title compound, C(22)H(17)NO(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. Each mol­ecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In mol­ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitro­phenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in mol­ecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, mol­ecules are arranged in a head-to-head manner, with the 3-nitro­phenyl groups nearly parallel to one another. The A and B mol­ecules are linked to one another via C—H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R (2) (2)(10) and R (2) (2)(12) ring motifs. The meth­oxy group in both mol­ecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for mol­ecule A and 0.55 (4):0.45 (4) for mol­ecule B.
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spelling pubmed-43319052015-02-20 Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one Vidhyasagar, T. Rajeswari, K. Shanthi, D. Kayalvizhi, M. Vasuki, G. Thiruvalluvar, A. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(22)H(17)NO(4), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. Each mol­ecule exists as an E isomer with C—C=C—C torsion angles of −175.69 (17) and −178.41 (17)° in A and B, respectively. In mol­ecule A, the planes of the terminal benzene rings are twisted by an angle of 26.67 (10)°, while the biphenyl unit is non-planar, the dihedral angle between the rings being 30.81 (10)°. The dihedral angle between the nitro­phenyl ring and the inner phenyl ring is 6.50 (9)°. The corresponding values in mol­ecule B are 60.61 (9), 31.07 (8) and 31.05 (9)°. In the crystal, mol­ecules are arranged in a head-to-head manner, with the 3-nitro­phenyl groups nearly parallel to one another. The A and B mol­ecules are linked to one another via C—H⋯O hydrogen bonds, forming chains lying parallel to (-320) and enclosing R (2) (2)(10) and R (2) (2)(12) ring motifs. The meth­oxy group in both mol­ecules is positionally disordered with a refined occupancy ratio of 0.979 (4):0.021 (4) for mol­ecule A and 0.55 (4):0.45 (4) for mol­ecule B. International Union of Crystallography 2015-01-01 /pmc/articles/PMC4331905/ /pubmed/25705435 http://dx.doi.org/10.1107/S2056989014025110 Text en © Vidhyasagar 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 Research Communications
Vidhyasagar, T.
Rajeswari, K.
Shanthi, D.
Kayalvizhi, M.
Vasuki, G.
Thiruvalluvar, A.
Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_full Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_fullStr Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_full_unstemmed Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_short Crystal structure of (E)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
title_sort crystal structure of (e)-1-(4′-meth­oxy-[1,1′-biphen­yl]-4-yl)-3-(3-nitro­phen­yl)prop-2-en-1-one
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331905/
https://www.ncbi.nlm.nih.gov/pubmed/25705435
http://dx.doi.org/10.1107/S2056989014025110
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