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5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine
In the title pyrazoline compound, C(19)H(14)BrN(5)O(2), the essentially planar pyrazoline and pyrimidine rings [maximum deviations = 0.013 (1) and 0.009 (1) Å, respectively] are inclined slightly to one another, making a dihedral angle of 10.81 (10)°. The nitrobenzene unit is almost perpendicular t...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972095/ https://www.ncbi.nlm.nih.gov/pubmed/21578856 http://dx.doi.org/10.1107/S1600536809048600 |
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author | Goh, Jia Hao Fun, Hoong-Kun Adhikari, Adithya Kalluraya, B. |
author_facet | Goh, Jia Hao Fun, Hoong-Kun Adhikari, Adithya Kalluraya, B. |
author_sort | Goh, Jia Hao |
collection | PubMed |
description | In the title pyrazoline compound, C(19)H(14)BrN(5)O(2), the essentially planar pyrazoline and pyrimidine rings [maximum deviations = 0.013 (1) and 0.009 (1) Å, respectively] are inclined slightly to one another, making a dihedral angle of 10.81 (10)°. The nitrobenzene unit is almost perpendicular to the attached pyrazoline ring, as indicated by the dihedral angle of 84.61 (8)°. In the crystal structure, intermolecular C—H⋯N contacts link the molecules into dimers in an antiparallel manner. These dimers are further linked into one-dimensional chains along the b axis via C—H⋯O contacts. The crystal structure is consolidated by three different intermolecular π–π interactions [range of centroid–centroid distances = 3.5160 (11)–3.6912 (11) Å]. |
format | Text |
id | pubmed-2972095 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29720952010-12-30 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine Goh, Jia Hao Fun, Hoong-Kun Adhikari, Adithya Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazoline compound, C(19)H(14)BrN(5)O(2), the essentially planar pyrazoline and pyrimidine rings [maximum deviations = 0.013 (1) and 0.009 (1) Å, respectively] are inclined slightly to one another, making a dihedral angle of 10.81 (10)°. The nitrobenzene unit is almost perpendicular to the attached pyrazoline ring, as indicated by the dihedral angle of 84.61 (8)°. In the crystal structure, intermolecular C—H⋯N contacts link the molecules into dimers in an antiparallel manner. These dimers are further linked into one-dimensional chains along the b axis via C—H⋯O contacts. The crystal structure is consolidated by three different intermolecular π–π interactions [range of centroid–centroid distances = 3.5160 (11)–3.6912 (11) Å]. International Union of Crystallography 2009-11-21 /pmc/articles/PMC2972095/ /pubmed/21578856 http://dx.doi.org/10.1107/S1600536809048600 Text en © Goh et al. 2009 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 Goh, Jia Hao Fun, Hoong-Kun Adhikari, Adithya Kalluraya, B. 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title | 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title_full | 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title_fullStr | 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title_full_unstemmed | 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title_short | 5-Bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]pyrimidine |
title_sort | 5-bromo-2-[5-(4-nitrophenyl)-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl]pyrimidine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972095/ https://www.ncbi.nlm.nih.gov/pubmed/21578856 http://dx.doi.org/10.1107/S1600536809048600 |
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