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Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate
The title compound, C(21)H(20)N(3)O(3)S(2)·CH(3)CH(2)OH, comprises two independent organic molecules and two ethanol solvent molecules. The molecules are related by pseudo-mirror symmetry. In both molecules, the N-bound benzene ring is twisted out of the plane of the pyrazole ring [the dihedral...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200955/ https://www.ncbi.nlm.nih.gov/pubmed/22059018 http://dx.doi.org/10.1107/S1600536811034076 |
Sumario: | The title compound, C(21)H(20)N(3)O(3)S(2)·CH(3)CH(2)OH, comprises two independent organic molecules and two ethanol solvent molecules. The molecules are related by pseudo-mirror symmetry. In both molecules, the N-bound benzene ring is twisted out of the plane of the pyrazole ring [the dihedral angles are 51.4 (3) and 44.1 (3)°, respectively]. Similarly, the benzene ring of the 1,2-dihydronaphthalene residue is inclined with respect to the five-membered ring [dihedral angles 18.3 (3) and 22.2 (3)°]. Overall, each molecule has a flattened U shape. Dimeric aggregates mediated by O—H⋯N(pyrazole) and amide-N—H⋯O hydrogen bonds feature in the crystal packing, whereby the ethanol molecules link the independent organic molecules, leading to four-molecule aggregates. |
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