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(4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one

In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitro­benzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole mol­ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due...

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Autores principales: Chaudhry, Faryal, Tahir, M. Nawaz, Khan, Misbahul Ain, Ather, Abdul Qayyum, Asif, Nadia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393312/
https://www.ncbi.nlm.nih.gov/pubmed/22807869
http://dx.doi.org/10.1107/S1600536812025238
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author Chaudhry, Faryal
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Asif, Nadia
author_facet Chaudhry, Faryal
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Asif, Nadia
author_sort Chaudhry, Faryal
collection PubMed
description In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitro­benzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole mol­ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intra­molecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R (2) (2)(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π inter­actions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å.
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spelling pubmed-33933122012-07-17 (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one Chaudhry, Faryal Tahir, M. Nawaz Khan, Misbahul Ain Ather, Abdul Qayyum Asif, Nadia Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(17)N(3)O(4), the dihedral angles between the heterocyclic ring and the toluene and nitro­benzene rings are 4.21 (15) and 11.43 (14)°, respectively. The whole mol­ecule is close to planar (r.m.s. deviation for the 27 non-H atoms = 0.171 Å). Two S(6) rings are formed due to intra­molecular C—H⋯O and O—H⋯O hydrogen bonds. In the crystal, inversion dimers linked by pairs of C—H⋯O bonds generate R (2) (2)(10) loops and further C—H⋯O bonds link the dimers along the b-axis direction. There exist π–π inter­actions between the heterocyclic rings at a centroid–centroid distance of 3.7126 (10) Å and between the centroids of the benzene rings at a distance of 3.8710 (16) Å. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393312/ /pubmed/22807869 http://dx.doi.org/10.1107/S1600536812025238 Text en © Chaudhry 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
Chaudhry, Faryal
Tahir, M. Nawaz
Khan, Misbahul Ain
Ather, Abdul Qayyum
Asif, Nadia
(4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title_full (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title_fullStr (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title_full_unstemmed (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title_short (4Z)-4-[(2E)-1-Hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1H-pyrazol-5(4H)-one
title_sort (4z)-4-[(2e)-1-hy­droxy-3-(3-nitro­phen­yl)prop-2-en-1-yl­idene]-3-methyl-1-(4-methyl­phen­yl)-1h-pyrazol-5(4h)-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393312/
https://www.ncbi.nlm.nih.gov/pubmed/22807869
http://dx.doi.org/10.1107/S1600536812025238
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