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3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone
In the title sydnone compound [systematic name: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(13)H(12)N(4)O(3), the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979459/ https://www.ncbi.nlm.nih.gov/pubmed/21579356 http://dx.doi.org/10.1107/S1600536810015667 |
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author | Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. |
author_facet | Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. |
author_sort | Goh, Jia Hao |
collection | PubMed |
description | In the title sydnone compound [systematic name: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(13)H(12)N(4)O(3), the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at interplanar angles of 37.84 (4) and 46.60 (4)°, respectively, with respect to the benzene ring. In the crystal, adjacent molecules are interconnected into a three-dimensional supramolecular network via intermolecular C—H⋯O hydrogen bonds. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distance = 3.5251 (5) Å] further stabilize the crystal packing. |
format | Text |
id | pubmed-2979459 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29794592010-12-30 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone Goh, Jia Hao Fun, Hoong-Kun Nithinchandra, Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title sydnone compound [systematic name: 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)-1,2,3-oxadiazol-3-ium-5-olate], C(13)H(12)N(4)O(3), the oxadiazole and pyrazole rings are essentially planar [maximum deviations = 0.006 (1) and 0.019 (1) Å, respectively] and are inclined at interplanar angles of 37.84 (4) and 46.60 (4)°, respectively, with respect to the benzene ring. In the crystal, adjacent molecules are interconnected into a three-dimensional supramolecular network via intermolecular C—H⋯O hydrogen bonds. Weak intermolecular π–π aromatic stacking interactions [centroid–centroid distance = 3.5251 (5) Å] further stabilize the crystal packing. International Union of Crystallography 2010-05-08 /pmc/articles/PMC2979459/ /pubmed/21579356 http://dx.doi.org/10.1107/S1600536810015667 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. 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title | 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title_full | 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title_fullStr | 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title_full_unstemmed | 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title_short | 3-(2,3-Dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-4-yl)sydnone |
title_sort | 3-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1h-pyrazol-4-yl)sydnone |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979459/ https://www.ncbi.nlm.nih.gov/pubmed/21579356 http://dx.doi.org/10.1107/S1600536810015667 |
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