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(4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone

In the title pyrazole compound, C(21)H(15)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is appr...

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Detalles Bibliográficos
Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Nithinchandra, Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972143/
https://www.ncbi.nlm.nih.gov/pubmed/21578818
http://dx.doi.org/10.1107/S1600536809047217
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author Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Kalluraya, B.
author_facet Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Kalluraya, B.
author_sort Goh, Jia Hao
collection PubMed
description In the title pyrazole compound, C(21)H(15)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, inter­molecular C—H⋯O inter­actions form bifurcated hydrogen bonds, generating R (1) (2)(7) ring motifs. These hydrogen bonds link the mol­ecules into infinite chains along the a axis. The crystal structure is further stabilized by weak inter­molecular π–π inter­actions [centroid–centroid distance = 3.4118 (10) Å].
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spelling pubmed-29721432010-12-30 (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazole compound, C(21)H(15)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum atomic deviations of 0.011 (2) and 0.006 (2) Å, respectively] make a dihedral angle of 9.21 (11)°. The nitro group is approximately coplanar with the attached furan ring, as indicated by the dihedral angle of 4.5 (2)°. In the crystal structure, inter­molecular C—H⋯O inter­actions form bifurcated hydrogen bonds, generating R (1) (2)(7) ring motifs. These hydrogen bonds link the mol­ecules into infinite chains along the a axis. The crystal structure is further stabilized by weak inter­molecular π–π inter­actions [centroid–centroid distance = 3.4118 (10) Å]. International Union of Crystallography 2009-11-14 /pmc/articles/PMC2972143/ /pubmed/21578818 http://dx.doi.org/10.1107/S1600536809047217 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
Nithinchandra,
Kalluraya, B.
(4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title_full (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title_fullStr (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title_full_unstemmed (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title_short (4-Methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl]methanone
title_sort (4-methyl­phen­yl)[3-(5-nitro-2-fur­yl)-1-phenyl-1h-pyrazol-4-yl]methanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972143/
https://www.ncbi.nlm.nih.gov/pubmed/21578818
http://dx.doi.org/10.1107/S1600536809047217
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