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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...

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Detalles Bibliográficos
Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Adhikari, Adithya, Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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].
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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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