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(4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone
In the title compound, C(21)H(14)ClN(3)O(5), an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98 (5)°. The pyrazole ring is inclined at dihedral angles of 47.59 (4) and 7.27 (4)° to the chloropheny...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979246/ https://www.ncbi.nlm.nih.gov/pubmed/21579120 http://dx.doi.org/10.1107/S1600536810011931 |
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author | Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Rai, N. Satheesh |
author_facet | Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Rai, N. Satheesh |
author_sort | Goh, Jia Hao |
collection | PubMed |
description | In the title compound, C(21)H(14)ClN(3)O(5), an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98 (5)°. The pyrazole ring is inclined at dihedral angles of 47.59 (4) and 7.27 (4)° to the chlorophenyl and methoxyphenyl groups, respectively. The nitro group is almost coplanar to its attached furan ring [dihedral angle = 2.03 (12)°]. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. The crystal structure also features short intermolecular O⋯N [2.8546 (12) Å] and Cl⋯O [3.0844 (9) Å] contacts as well as aromatic π–π stacking interactions [centroid–centroid distance = 3.4367 (6) Å]. |
format | Text |
id | pubmed-2979246 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29792462010-12-30 (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Rai, N. Satheesh Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(14)ClN(3)O(5), an intramolecular C—H⋯O hydrogen bond generates an S(7) ring motif and the furan and pyrazole rings are almost coplanar, making a dihedral angle of 1.98 (5)°. The pyrazole ring is inclined at dihedral angles of 47.59 (4) and 7.27 (4)° to the chlorophenyl and methoxyphenyl groups, respectively. The nitro group is almost coplanar to its attached furan ring [dihedral angle = 2.03 (12)°]. In the crystal, intermolecular C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. The crystal structure also features short intermolecular O⋯N [2.8546 (12) Å] and Cl⋯O [3.0844 (9) Å] contacts as well as aromatic π–π stacking interactions [centroid–centroid distance = 3.4367 (6) Å]. International Union of Crystallography 2010-04-14 /pmc/articles/PMC2979246/ /pubmed/21579120 http://dx.doi.org/10.1107/S1600536810011931 Text en © Goh et al. 2010 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. Rai, N. Satheesh (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title | (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title_full | (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title_fullStr | (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title_full_unstemmed | (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title_short | (4-Chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1H-pyrazol-4-yl]methanone |
title_sort | (4-chlorophenyl)[1-(4-methoxyphenyl)-3-(5-nitro-2-furyl)-1h-pyrazol-4-yl]methanone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979246/ https://www.ncbi.nlm.nih.gov/pubmed/21579120 http://dx.doi.org/10.1107/S1600536810011931 |
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