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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...

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Autores principales: Goh, Jia Hao, Fun, Hoong-Kun, Nithinchandra, Kalluraya, B., Rai, N. Satheesh
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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].
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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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