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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 |
| _version_ | 1782214787289055232 |
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| author | Asiri, Abdullah M. Al-Youbi, Abdulrahman O. Faidallah, Hassan M. Ng, Seik Weng Tiekink, Edward R. T. |
| author_facet | Asiri, Abdullah M. Al-Youbi, Abdulrahman O. Faidallah, Hassan M. Ng, Seik Weng Tiekink, Edward R. T. |
| author_sort | Asiri, Abdullah M. |
| collection | PubMed |
| description | 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. |
| format | Online Article Text |
| id | pubmed-3200955 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32009552011-11-06 Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate Asiri, Abdullah M. Al-Youbi, Abdulrahman O. Faidallah, Hassan M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers 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. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200955/ /pubmed/22059018 http://dx.doi.org/10.1107/S1600536811034076 Text en © Asiri et al. 2011 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 Asiri, Abdullah M. Al-Youbi, Abdulrahman O. Faidallah, Hassan M. Ng, Seik Weng Tiekink, Edward R. T. Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title | Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title_full | Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title_fullStr | Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title_full_unstemmed | Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title_short | Ethyl N-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| title_sort | ethyl n-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-1-yl)phenylsulfonyl]thiocarbamate ethanol monosolvate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200955/ https://www.ncbi.nlm.nih.gov/pubmed/22059018 http://dx.doi.org/10.1107/S1600536811034076 |
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