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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...
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/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]. |
format | Text |
id | pubmed-2972131 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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