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

In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra­molecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dih...

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Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Nithinchandra, Rai, N. Satheesh, Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972131/
https://www.ncbi.nlm.nih.gov/pubmed/21578827
http://dx.doi.org/10.1107/S1600536809047758
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author Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Rai, N. Satheesh
Kalluraya, B.
author_facet Goh, Jia Hao
Fun, Hoong-Kun
Nithinchandra,
Rai, N. Satheesh
Kalluraya, B.
author_sort Goh, Jia Hao
collection PubMed
description In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra­molecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methyl­phenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, mol­ecules are linked into chains along [[Image: see text]10] by C—H⋯O contacts. The crystal structure is further stabilized by π–π inter­actions [centroid–centroid distance = 3.4437 (10) Å].
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spelling pubmed-29721312010-12-30 (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Rai, N. Satheesh Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrazole compound, C(22)H(17)N(3)O(4), an intra­molecular C—H⋯O contact generates a seven-membered ring, producing an S(7) ring motif. The furan and pyrazole rings are essentially planar [maximum deviations = 0.004 (1) and 0.004 (2) Å, respectively] and are almost coplanar, making a dihedral angle of 3.75 (10)°. One of the methyl­phenyl groups is inclined to the pyrazole ring, as indicated by the dihedral angle of 48.41 (9)°. In the crystal structure, mol­ecules are linked into chains along [[Image: see text]10] by C—H⋯O contacts. The crystal structure is further stabilized by π–π inter­actions [centroid–centroid distance = 3.4437 (10) Å]. International Union of Crystallography 2009-11-14 /pmc/articles/PMC2972131/ /pubmed/21578827 http://dx.doi.org/10.1107/S1600536809047758 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,
Rai, N. Satheesh
Kalluraya, B.
(4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title_full (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title_fullStr (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title_full_unstemmed (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title_short (4-Methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1H-pyrazol-4-yl]methanone
title_sort (4-methyl­phen­yl)[1-(4-methyl­phen­yl)-3-(5-nitro-2-fur­yl)-1h-pyrazol-4-yl]methanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2972131/
https://www.ncbi.nlm.nih.gov/pubmed/21578827
http://dx.doi.org/10.1107/S1600536809047758
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