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(E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one
The asymmetric unit of the title compound, C(19)H(16)FN(3)O, contains two crystallographically independent molecules. The triazole rings in both molecules are essentially planar with maximum deviations of 0.002 (1) and 0.001 (1) Å. The dihedral angles between the benzene and fluorophenyl rings are...
| 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/PMC3201442/ https://www.ncbi.nlm.nih.gov/pubmed/22065516 http://dx.doi.org/10.1107/S1600536811038943 |
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| author | Fun, Hoong-Kun Hemamalini, Madhukar Shanmugavelan, Poovan Ponnuswamy, Alagusundaram Jagatheesan, Rathinavel |
| author_facet | Fun, Hoong-Kun Hemamalini, Madhukar Shanmugavelan, Poovan Ponnuswamy, Alagusundaram Jagatheesan, Rathinavel |
| author_sort | Fun, Hoong-Kun |
| collection | PubMed |
| description | The asymmetric unit of the title compound, C(19)H(16)FN(3)O, contains two crystallographically independent molecules. The triazole rings in both molecules are essentially planar with maximum deviations of 0.002 (1) and 0.001 (1) Å. The dihedral angles between the benzene and fluorophenyl rings are 79.36 (9) and 89.40 (10)° in the two molecules. In the crystal, the two independent molecules are linked by C—H⋯N hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by C—H⋯π interactions. |
| format | Online Article Text |
| id | pubmed-3201442 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2011 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32014422011-11-06 (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one Fun, Hoong-Kun Hemamalini, Madhukar Shanmugavelan, Poovan Ponnuswamy, Alagusundaram Jagatheesan, Rathinavel Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(19)H(16)FN(3)O, contains two crystallographically independent molecules. The triazole rings in both molecules are essentially planar with maximum deviations of 0.002 (1) and 0.001 (1) Å. The dihedral angles between the benzene and fluorophenyl rings are 79.36 (9) and 89.40 (10)° in the two molecules. In the crystal, the two independent molecules are linked by C—H⋯N hydrogen bonds, forming dimers. Furthermore, the crystal structure is stabilized by C—H⋯π interactions. International Union of Crystallography 2011-09-30 /pmc/articles/PMC3201442/ /pubmed/22065516 http://dx.doi.org/10.1107/S1600536811038943 Text en © Fun 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 Fun, Hoong-Kun Hemamalini, Madhukar Shanmugavelan, Poovan Ponnuswamy, Alagusundaram Jagatheesan, Rathinavel (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title | (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title_full | (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title_fullStr | (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title_full_unstemmed | (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title_short | (E)-1-(1-Benzyl-5-methyl-1H-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| title_sort | (e)-1-(1-benzyl-5-methyl-1h-1,2,3-triazol-4-yl)-3-(4-fluorophenyl)prop-2-en-1-one |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201442/ https://www.ncbi.nlm.nih.gov/pubmed/22065516 http://dx.doi.org/10.1107/S1600536811038943 |
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