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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4459315 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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