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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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]. |
format | Text |
id | pubmed-2972143 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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