3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole
In the title pyrazole derivative, C11H11N3O2, the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supramo...
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| Format: | Online |
| Language: | English |
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International Union of Crystallography
2012
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343982/ |
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pubmed-3343982 |
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oai_dc |
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pubmed-33439822012-05-15 3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole Tiekink, Edward R. T. Wardell, Solange M. S. V. Wardell, James L. Organic Papers In the title pyrazole derivative, C11H11N3O2, the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supramolecular chains along the b axis are formed owing to π–π interactions [3.8653 (2) Å] between translationally related molecules involving both the five- and six-membered rings. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343982/ /pubmed/22589891 http://dx.doi.org/10.1107/S1600536812009579 Text en © Tiekink et al. 2012 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. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Tiekink, Edward R. T. Wardell, Solange M. S. V. Wardell, James L. |
| spellingShingle |
Tiekink, Edward R. T. Wardell, Solange M. S. V. Wardell, James L. 3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| author_facet |
Tiekink, Edward R. T. Wardell, Solange M. S. V. Wardell, James L. |
| author_sort |
Tiekink, Edward R. T. |
| title |
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| title_short |
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| title_full |
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| title_fullStr |
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| title_full_unstemmed |
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole |
| title_sort |
3,5-dimethyl-1-(4-nitrophenyl)-1h-pyrazole |
| description |
In the title pyrazole derivative, C11H11N3O2, the benzene ring is twisted [dihedral angle = 31.38 (12)°] with respect to the pyrazole ring (r.m.s. deviation = 0.009 Å). The nitro group is effectively coplanar with the benzene ring to which it is attached [O—N—C—C torsion angle = −6.5 (3)°]. Supramolecular chains along the b axis are formed owing to π–π interactions [3.8653 (2) Å] between translationally related molecules involving both the five- and six-membered rings. |
| publisher |
International Union of Crystallography |
| publishDate |
2012 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343982/ |
| _version_ |
1611527111181336576 |