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(2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one

In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by t...

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Autores principales: Isloor, Arun M., Malladi, Shridhar, Gerber, Thomas, van Brecht, Benjamin, Betz, Richard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295416/
https://www.ncbi.nlm.nih.gov/pubmed/22412527
http://dx.doi.org/10.1107/S1600536812003960
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author Isloor, Arun M.
Malladi, Shridhar
Gerber, Thomas
van Brecht, Benjamin
Betz, Richard
author_facet Isloor, Arun M.
Malladi, Shridhar
Gerber, Thomas
van Brecht, Benjamin
Betz, Richard
author_sort Isloor, Arun M.
collection PubMed
description In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C—H⋯O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter­centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π inter­actions are manifest between a pair of 4-nitro­phenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichloro­phenyl rings [centroid-to-centroid distance = 3.7797 (7) Å].
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spelling pubmed-32954162012-03-12 (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one Isloor, Arun M. Malladi, Shridhar Gerber, Thomas van Brecht, Benjamin Betz, Richard Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(24)H(15)Cl(2)N(3)O(3), the C=C double bond is E configured. The 1-phenyl-1H-pyrazole moiety is roughly planar (r.m.s. deviation of all fitted non-H atoms = 0.0780 Å), but the mean planes of the two components are inclined at an angle of 9.95 (7)°. The mean plane defined by the non-H atoms of the 1H-pyrazole ring encloses angles of 9.95 (7), 24.54 (6) and 43.02 (6)° with the mean planes of the different benzene rings. In the crystal, C—H⋯O contacts are present and result in the formation of a double-layer two-dimensional network lying parallel to (110). The shortest inter­centroid distance between two aromatic systems is 3.5455 (7) Å and is apparent between two pyrazole systems. Further π–π inter­actions are manifest between a pair of 4-nitro­phenyl rings [centroid-to-centroid distance = 3.6443 (7) Å] and a pair of 2,4-dichloro­phenyl rings [centroid-to-centroid distance = 3.7797 (7) Å]. International Union of Crystallography 2012-02-04 /pmc/articles/PMC3295416/ /pubmed/22412527 http://dx.doi.org/10.1107/S1600536812003960 Text en © Isloor et al. 2012 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
Isloor, Arun M.
Malladi, Shridhar
Gerber, Thomas
van Brecht, Benjamin
Betz, Richard
(2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title_full (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title_fullStr (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title_full_unstemmed (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title_short (2E)-1-(2,4-Dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one
title_sort (2e)-1-(2,4-dichloro­phen­yl)-3-[3-(4-nitro­phen­yl)-1-phenyl-1h-pyrazol-4-yl]prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295416/
https://www.ncbi.nlm.nih.gov/pubmed/22412527
http://dx.doi.org/10.1107/S1600536812003960
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