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...

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Autores principales: Abdel-Aziz, Hatem A., Ghabbour, Hazem A., Chantrapromma, Suchada, Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
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.
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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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AT chantraprommasuchada 3acetyl15diphenyl1hpyrazole4carbonitrile
AT funhoongkun 3acetyl15diphenyl1hpyrazole4carbonitrile

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