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1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one
In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with...
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/PMC3343981/ https://www.ncbi.nlm.nih.gov/pubmed/22589890 http://dx.doi.org/10.1107/S1600536812009567 |
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author | Baddeley, Thomas C. Wardell, Solange M. S. V. Tiekink, Edward R. T. Wardell, James L. |
author_facet | Baddeley, Thomas C. Wardell, Solange M. S. V. Tiekink, Edward R. T. Wardell, James L. |
author_sort | Baddeley, Thomas C. |
collection | PubMed |
description | In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supramolecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N interactions, and these are assembled into double layers by C—H⋯π and π–π interactions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π interactions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å]. |
format | Online Article Text |
id | pubmed-3343981 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33439812012-05-15 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one Baddeley, Thomas C. Wardell, Solange M. S. V. Tiekink, Edward R. T. Wardell, James L. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazolone derivative, C(15)H(12)N(2)O, the five-membered ring is approximately planar (r.m.s. deviation = 0.018 Å), and the N- and C-bound benzene rings are inclined to this plane [dihedral angles = 21.45 (10) and 6.96 (10)°, respectively] and form a dihedral angle of 20.42 (10)° with each other. Supramolecular layers are formed in the crystal structure via C—H⋯O and C—H⋯N interactions, and these are assembled into double layers by C—H⋯π and π–π interactions between the pyrazole and C-bound benzene rings [ring centroid–centroid distance = 3.6476 (12) Å]. The double layers stack along the a axis being connected by π–π interactions between the N- and C-bound benzene rings [ring centroid–centroid distance = 3.7718 (12) Å]. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343981/ /pubmed/22589890 http://dx.doi.org/10.1107/S1600536812009567 Text en © Baddeley 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 Baddeley, Thomas C. Wardell, Solange M. S. V. Tiekink, Edward R. T. Wardell, James L. 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title_full | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title_fullStr | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title_full_unstemmed | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title_short | 1,3-Diphenyl-4,5-dihydro-1H-pyrazol-5-one |
title_sort | 1,3-diphenyl-4,5-dihydro-1h-pyrazol-5-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343981/ https://www.ncbi.nlm.nih.gov/pubmed/22589890 http://dx.doi.org/10.1107/S1600536812009567 |
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