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[3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone

In the title pyrazole compound, C(20)H(13)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, form...

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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/PMC2979013/
https://www.ncbi.nlm.nih.gov/pubmed/21579253
http://dx.doi.org/10.1107/S1600536810015199
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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 pyrazole compound, C(20)H(13)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10)°. The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3)°. In the crystal packing, inter­molecular C—H⋯O hydrogen bonds link adjacent mol­ecules into two-mol­ecule-wide chains along the a axis. The crystal packing is further stabilized by weak inter­molecular C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.4441 (10) Å].
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spelling pubmed-29790132010-12-30 [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)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 pyrazole compound, C(20)H(13)N(3)O(4), an intra­molecular C—H⋯O hydrogen bond generates a seven-membered ring, producing an S(7) ring motif. The essentially planar furan and pyrazole rings [maximum deviations of 0.002 (1) and 0.007 (1) Å, respectively] are coplanar with each other, forming a dihedral angle of 3.06 (10)°. The pyrazole ring forms dihedral angles of 8.51 (9) and 56.81 (9)° with the two benzene rings. The nitro group is coplanar with the attached furan ring, as indicated by the dihedral angle of 2.5 (3)°. In the crystal packing, inter­molecular C—H⋯O hydrogen bonds link adjacent mol­ecules into two-mol­ecule-wide chains along the a axis. The crystal packing is further stabilized by weak inter­molecular C—H⋯π and π–π inter­actions [centroid–centroid distance = 3.4441 (10) Å]. International Union of Crystallography 2010-04-30 /pmc/articles/PMC2979013/ /pubmed/21579253 http://dx.doi.org/10.1107/S1600536810015199 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
[3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title_full [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title_fullStr [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title_full_unstemmed [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title_short [3-(5-Nitro-2-fur­yl)-1-phenyl-1H-pyrazol-4-yl](phen­yl)methanone
title_sort [3-(5-nitro-2-fur­yl)-1-phenyl-1h-pyrazol-4-yl](phen­yl)methanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979013/
https://www.ncbi.nlm.nih.gov/pubmed/21579253
http://dx.doi.org/10.1107/S1600536810015199
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