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Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C(10)H(9)FN(4)S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond,...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719876/ https://www.ncbi.nlm.nih.gov/pubmed/26870523 http://dx.doi.org/10.1107/S2056989015020125 |
| _version_ | 1782410993214685184 |
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| author | Manjula, P. S. Sarojini, B. K. Narayana, B. Byrappa, K. Madan Kumar, S. |
| author_facet | Manjula, P. S. Sarojini, B. K. Narayana, B. Byrappa, K. Madan Kumar, S. |
| author_sort | Manjula, P. S. |
| collection | PubMed |
| description | The title compound, C(10)H(9)FN(4)S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds occur, generating R (2) (2)(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed. |
| format | Online Article Text |
| id | pubmed-4719876 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-47198762016-02-11 Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione Manjula, P. S. Sarojini, B. K. Narayana, B. Byrappa, K. Madan Kumar, S. Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(10)H(9)FN(4)S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds occur, generating R (2) (2)(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719876/ /pubmed/26870523 http://dx.doi.org/10.1107/S2056989015020125 Text en © Manjula et al. 2015 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 | Data Reports Manjula, P. S. Sarojini, B. K. Narayana, B. Byrappa, K. Madan Kumar, S. Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title | Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full | Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr | Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed | Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_short | Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione |
| title_sort | crystal structure of 4-[(e)-(4-fluorobenzylidene)amino]-3-methyl-1h-1,2,4-triazole-5(4h)-thione |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719876/ https://www.ncbi.nlm.nih.gov/pubmed/26870523 http://dx.doi.org/10.1107/S2056989015020125 |
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