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5-Isobutyl-4-phenylsulfonyl-1H-pyrazol-3(2H)-one
The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0....
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/PMC3011737/ https://www.ncbi.nlm.nih.gov/pubmed/21589363 http://dx.doi.org/10.1107/S1600536810044181 |
Sumario: | The title compound, C(13)H(16)N(2)O(3)S, consists of two crystallographically independent molecules with similar geometries and exists in a keto form, the C=O bond lengths being 1.267 (2) and 1.254 (2) Å. In both molecules, the pyrazole rings are approximately planar, with maximum deviations of 0.017 (2) and 0.010 (2) Å, and the dihedral angles between the pyrazole and phenyl rings are 83.63 (11) and 70.07 (12)°. In one molecule, an intramolecular C—H⋯O hydrogen bond with an S(6) ring motif is observed. In the crystal, intermolecular N—H⋯O and C—H⋯O hydrogen bonds link the molecules into two-dimensional networks parallel to the ab plane. |
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