Cargando…
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-...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782191414160916480 |
---|---|
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. |
format | Text |
id | pubmed-2979444 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT samshuddins 35bis4bromophenyl1phenyl45dihydro1hpyrazole AT narayanab 35bis4bromophenyl1phenyl45dihydro1hpyrazole AT yathirajanhs 35bis4bromophenyl1phenyl45dihydro1hpyrazole AT safwanap 35bis4bromophenyl1phenyl45dihydro1hpyrazole AT tiekinkedwardrt 35bis4bromophenyl1phenyl45dihydro1hpyrazole |