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Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

In the title compound, C(20)H(16)N(2)O(3), the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the mol­ecule. In the crystal, mol­ecules are connected into inversion dimers of the R (2) (2)(14) type by pairs of C—H⋯O inter­actions. π–π inter­acti...

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Autores principales: Salim, Muhammad, Munawar, Munawar Ali, Tahir, Muhammad Nawaz, Shahid, Muhammad, Malik, Khizar Iqbal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459315/
https://www.ncbi.nlm.nih.gov/pubmed/26090198
http://dx.doi.org/10.1107/S2056989015009445
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author Salim, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Shahid, Muhammad
Malik, Khizar Iqbal
author_facet Salim, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Shahid, Muhammad
Malik, Khizar Iqbal
author_sort Salim, Muhammad
collection PubMed
description In the title compound, C(20)H(16)N(2)O(3), the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the mol­ecule. In the crystal, mol­ecules are connected into inversion dimers of the R (2) (2)(14) type by pairs of C—H⋯O inter­actions. π–π inter­actions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π–π inter­actions are present at a centroid–centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ring and meth­oxy substituted aromatic ring of a neighbouring mol­ecule. Additional C—H⋯π and C=O⋯π inter­actions are also observed.
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spelling pubmed-44593152015-06-18 Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one Salim, Muhammad Munawar, Munawar Ali Tahir, Muhammad Nawaz Shahid, Muhammad Malik, Khizar Iqbal Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(20)H(16)N(2)O(3), the phenyl substituent attached to the pyrazole ring makes a dihedral angle of 4.87 (7)° with the rest of the mol­ecule. In the crystal, mol­ecules are connected into inversion dimers of the R (2) (2)(14) type by pairs of C—H⋯O inter­actions. π–π inter­actions exist between the benzene and pyrazole rings at a distance of 3.701 (1) Å. Similarly, π–π inter­actions are present at a centroid–centroid distance of 3.601 (1) Å between the oxygen-containing heterocyclic ring and meth­oxy substituted aromatic ring of a neighbouring mol­ecule. Additional C—H⋯π and C=O⋯π inter­actions are also observed. International Union of Crystallography 2015-05-23 /pmc/articles/PMC4459315/ /pubmed/26090198 http://dx.doi.org/10.1107/S2056989015009445 Text en © Salim 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
Salim, Muhammad
Munawar, Munawar Ali
Tahir, Muhammad Nawaz
Shahid, Muhammad
Malik, Khizar Iqbal
Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_full Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_fullStr Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_full_unstemmed Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_short Crystal structure of (4E)-4-(8-meth­oxy-2H-chromen-2-yl­idene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
title_sort crystal structure of (4e)-4-(8-meth­oxy-2h-chromen-2-yl­idene)-3-methyl-1-phenyl-1h-pyrazol-5(4h)-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4459315/
https://www.ncbi.nlm.nih.gov/pubmed/26090198
http://dx.doi.org/10.1107/S2056989015009445
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