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6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine
In the title compound, C(16)H(11)FN(4)S, the dihedral angles between the triazole ring and the phenyl and fluorobenzene rings are 23.22 (17) and 18.06 (17)°, respectively. The six-membered heterocyclic ring adopts a distorted envelope conformation, with the methylene C atom as the flap. In the cry...
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/PMC3998453/ https://www.ncbi.nlm.nih.gov/pubmed/24765056 http://dx.doi.org/10.1107/S1600536814003262 |
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author | Palakshamurthy, B. S. Devarajegowda, H. C. Mohan, N. R. Sreenivasa, S. Suchetan, P. A. |
author_facet | Palakshamurthy, B. S. Devarajegowda, H. C. Mohan, N. R. Sreenivasa, S. Suchetan, P. A. |
author_sort | Palakshamurthy, B. S. |
collection | PubMed |
description | In the title compound, C(16)H(11)FN(4)S, the dihedral angles between the triazole ring and the phenyl and fluorobenzene rings are 23.22 (17) and 18.06 (17)°, respectively. The six-membered heterocyclic ring adopts a distorted envelope conformation, with the methylene C atom as the flap. In the crystal, the molecules are linked by two C—H⋯N and C—H⋯F interactions along [010], forming C(5), C(8) and C(13) chains repectively. C—H⋯π interactions involving the phenyl ring and π–π interactions [centroid–centroid separation for triazole rings = 3.5660 (18) Å] are also observed. |
format | Online Article Text |
id | pubmed-3998453 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984532014-04-24 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine Palakshamurthy, B. S. Devarajegowda, H. C. Mohan, N. R. Sreenivasa, S. Suchetan, P. A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(11)FN(4)S, the dihedral angles between the triazole ring and the phenyl and fluorobenzene rings are 23.22 (17) and 18.06 (17)°, respectively. The six-membered heterocyclic ring adopts a distorted envelope conformation, with the methylene C atom as the flap. In the crystal, the molecules are linked by two C—H⋯N and C—H⋯F interactions along [010], forming C(5), C(8) and C(13) chains repectively. C—H⋯π interactions involving the phenyl ring and π–π interactions [centroid–centroid separation for triazole rings = 3.5660 (18) Å] are also observed. International Union of Crystallography 2014-02-28 /pmc/articles/PMC3998453/ /pubmed/24765056 http://dx.doi.org/10.1107/S1600536814003262 Text en © Palakshamurthy 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 Palakshamurthy, B. S. Devarajegowda, H. C. Mohan, N. R. Sreenivasa, S. Suchetan, P. A. 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title | 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title_full | 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title_fullStr | 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title_full_unstemmed | 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title_short | 6-(4-Fluorophenyl)-3-phenyl-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
title_sort | 6-(4-fluorophenyl)-3-phenyl-7h-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998453/ https://www.ncbi.nlm.nih.gov/pubmed/24765056 http://dx.doi.org/10.1107/S1600536814003262 |
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