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3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole

In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045 Å) and the dihedral angles formed with the N-...

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Autores principales: Samshuddin, S., Narayana, B., Yathirajan, H. S., Safwan, A. P., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979444/
https://www.ncbi.nlm.nih.gov/pubmed/21579379
http://dx.doi.org/10.1107/S1600536810015795
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author Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
Safwan, A. P.
Tiekink, Edward R. T.
author_facet Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
Safwan, A. P.
Tiekink, Edward R. T.
author_sort Samshuddin, S.
collection PubMed
description In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045 Å) and the dihedral angles formed with the N- and C(imine)-bound benzene rings are 7.73 (13) and 11.00 (13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the mol­ecule; the dihedral angle formed between this ring and the pyrazole ring is 79.53 (13)°. In the crystal, the packing is stabilized by C—H⋯N and C—H⋯Br inter­actions.
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spelling pubmed-29794442010-12-30 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole Samshuddin, S. Narayana, B. Yathirajan, H. S. Safwan, A. P. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(16)Br(2)N(2), the central pyrazole ring adopts an flattened envelope conformation, with the stereogenic C atom in the flap position. The deviations from planarity for this ring are relatively minor (r.m.s. deviation = 0.045 Å) and the dihedral angles formed with the N- and C(imine)-bound benzene rings are 7.73 (13) and 11.00 (13)°, respectively. By contrast, the benzene ring bound at the chiral C atom is almost orthogonal to the rest of the mol­ecule; the dihedral angle formed between this ring and the pyrazole ring is 79.53 (13)°. In the crystal, the packing is stabilized by C—H⋯N and C—H⋯Br inter­actions. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979444/ /pubmed/21579379 http://dx.doi.org/10.1107/S1600536810015795 Text en © Samshuddin et al. 2010 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
Samshuddin, S.
Narayana, B.
Yathirajan, H. S.
Safwan, A. P.
Tiekink, Edward R. T.
3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title_full 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title_fullStr 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title_full_unstemmed 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title_short 3,5-Bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1H-pyrazole
title_sort 3,5-bis(4-bromo­phen­yl)-1-phenyl-4,5-dihydro-1h-pyrazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979444/
https://www.ncbi.nlm.nih.gov/pubmed/21579379
http://dx.doi.org/10.1107/S1600536810015795
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