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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...

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Autores principales: Baddeley, Thomas C., Wardell, Solange M. S. V., Tiekink, Edward R. T., Wardell, James L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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].
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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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