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2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone
The asymmetric unit of the title compound, C(11)H(9)Br(2)N(3)O, contains two crystallographically independent molecules with similar geometries; the Br—C—C=O torsion angles are 1.2 (4) and −2.8 (4)°, and the benzene and triazole rings are inclined o one another by 51.90 (16) and 51.88 (16)°. The tw...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2014
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120528/ https://www.ncbi.nlm.nih.gov/pubmed/25161595 http://dx.doi.org/10.1107/S1600536814014603 |
| _version_ | 1782329100327714816 |
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| author | Bunev, Alexander S. Troshina, Marina A. Ostapenko, Gennady I. Pavlova, Andzhela P. Khrustalev, Victor N. |
| author_facet | Bunev, Alexander S. Troshina, Marina A. Ostapenko, Gennady I. Pavlova, Andzhela P. Khrustalev, Victor N. |
| author_sort | Bunev, Alexander S. |
| collection | PubMed |
| description | The asymmetric unit of the title compound, C(11)H(9)Br(2)N(3)O, contains two crystallographically independent molecules with similar geometries; the Br—C—C=O torsion angles are 1.2 (4) and −2.8 (4)°, and the benzene and triazole rings are inclined o one another by 51.90 (16) and 51.88 (16)°. The two molecules are related by a pseudo-screw 2(1) axis directed along [100]. In the crystal, molecules are linked into a three-dimensional network by weak C—H⋯O and C—H⋯N hydrogen bonds and secondary Br⋯Br [3.5991 (8) and 3.6503 (9) Å] interactions. |
| format | Online Article Text |
| id | pubmed-4120528 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-41205282014-08-26 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone Bunev, Alexander S. Troshina, Marina A. Ostapenko, Gennady I. Pavlova, Andzhela P. Khrustalev, Victor N. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(11)H(9)Br(2)N(3)O, contains two crystallographically independent molecules with similar geometries; the Br—C—C=O torsion angles are 1.2 (4) and −2.8 (4)°, and the benzene and triazole rings are inclined o one another by 51.90 (16) and 51.88 (16)°. The two molecules are related by a pseudo-screw 2(1) axis directed along [100]. In the crystal, molecules are linked into a three-dimensional network by weak C—H⋯O and C—H⋯N hydrogen bonds and secondary Br⋯Br [3.5991 (8) and 3.6503 (9) Å] interactions. International Union of Crystallography 2014-06-25 /pmc/articles/PMC4120528/ /pubmed/25161595 http://dx.doi.org/10.1107/S1600536814014603 Text en © Bunev et al. 2014 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 Bunev, Alexander S. Troshina, Marina A. Ostapenko, Gennady I. Pavlova, Andzhela P. Khrustalev, Victor N. 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title | 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title_full | 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title_fullStr | 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title_full_unstemmed | 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title_short | 2-Bromo-1-[1-(4-bromophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone |
| title_sort | 2-bromo-1-[1-(4-bromophenyl)-5-methyl-1h-1,2,3-triazol-4-yl]ethanone |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120528/ https://www.ncbi.nlm.nih.gov/pubmed/25161595 http://dx.doi.org/10.1107/S1600536814014603 |
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