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3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile
The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C—C=O plane of the acetyl group are tw...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344048/ https://www.ncbi.nlm.nih.gov/pubmed/22589957 http://dx.doi.org/10.1107/S1600536812010938 |
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author | Abdel-Aziz, Hatem A. Ghabbour, Hazem A. Chantrapromma, Suchada Fun, Hoong-Kun |
author_facet | Abdel-Aziz, Hatem A. Ghabbour, Hazem A. Chantrapromma, Suchada Fun, Hoong-Kun |
author_sort | Abdel-Aziz, Hatem A. |
collection | PubMed |
description | The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C—C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, molecules are linked through weak C—H⋯N and C—H⋯O interactions into a helical chain along the a-axis direction. |
format | Online Article Text |
id | pubmed-3344048 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33440482012-05-15 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile Abdel-Aziz, Hatem A. Ghabbour, Hazem A. Chantrapromma, Suchada Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(18)H(13)N(3)O, has a butterfly-like structure, in which the pyrazole ring forms dihedral angles of 59.31 (8) and 57.24 (8)° with the two phenyl rings. The dihedral angle between the two phenyl rings is 64.03 (8)°. The pyrazole ring and the C—C=O plane of the acetyl group are twisted slightly, making a dihedral angle of 7.95 (18)°. In the crystal, molecules are linked through weak C—H⋯N and C—H⋯O interactions into a helical chain along the a-axis direction. International Union of Crystallography 2012-03-17 /pmc/articles/PMC3344048/ /pubmed/22589957 http://dx.doi.org/10.1107/S1600536812010938 Text en © Abdel-Aziz 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 Abdel-Aziz, Hatem A. Ghabbour, Hazem A. Chantrapromma, Suchada Fun, Hoong-Kun 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title_full | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title_fullStr | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title_full_unstemmed | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title_short | 3-Acetyl-1,5-diphenyl-1H-pyrazole-4-carbonitrile |
title_sort | 3-acetyl-1,5-diphenyl-1h-pyrazole-4-carbonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344048/ https://www.ncbi.nlm.nih.gov/pubmed/22589957 http://dx.doi.org/10.1107/S1600536812010938 |
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