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3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the title compound, C(14)H(11)FN(6)S, the 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole ring system is essentially planar [maximum deviation = 0.022 (3) Å] and is inclined at dihedral angles of 15.00 (18) and 52.82 (16)° with respect to the pyrazole and phenyl rings. In the crystal, molecules are lin...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009212/ https://www.ncbi.nlm.nih.gov/pubmed/21588995 http://dx.doi.org/10.1107/S1600536810040067 |
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author | Fun, Hoong-Kun Quah, Ching Kheng Malladi, Shridhar Isloor, Arun M. |
author_facet | Fun, Hoong-Kun Quah, Ching Kheng Malladi, Shridhar Isloor, Arun M. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(14)H(11)FN(6)S, the 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole ring system is essentially planar [maximum deviation = 0.022 (3) Å] and is inclined at dihedral angles of 15.00 (18) and 52.82 (16)° with respect to the pyrazole and phenyl rings. In the crystal, molecules are linked into two-dimensional networks parallel to (100) via intermolecular N—H⋯N and weak C—H⋯N hydrogen bonds. The crystal packing is further consolidated by weak π–π stacking interactions, with a centroid–centroid distance of 3.590 (2) Å. The crystal studied was an inversion twin with a 0.37 (13):0.63 (13) domain ratio. |
format | Text |
id | pubmed-3009212 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30092122010-12-30 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole Fun, Hoong-Kun Quah, Ching Kheng Malladi, Shridhar Isloor, Arun M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(11)FN(6)S, the 1,2,4-triazolo[3,4-b][1,3,4]thiadiazole ring system is essentially planar [maximum deviation = 0.022 (3) Å] and is inclined at dihedral angles of 15.00 (18) and 52.82 (16)° with respect to the pyrazole and phenyl rings. In the crystal, molecules are linked into two-dimensional networks parallel to (100) via intermolecular N—H⋯N and weak C—H⋯N hydrogen bonds. The crystal packing is further consolidated by weak π–π stacking interactions, with a centroid–centroid distance of 3.590 (2) Å. The crystal studied was an inversion twin with a 0.37 (13):0.63 (13) domain ratio. International Union of Crystallography 2010-10-13 /pmc/articles/PMC3009212/ /pubmed/21588995 http://dx.doi.org/10.1107/S1600536810040067 Text en © Fun et al. 2010 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 Quah, Ching Kheng Malladi, Shridhar Isloor, Arun M. 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title | 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_full | 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_fullStr | 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_full_unstemmed | 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_short | 3-Ethyl-6-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_sort | 3-ethyl-6-[3-(4-fluorophenyl)-1h-pyrazol-4-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009212/ https://www.ncbi.nlm.nih.gov/pubmed/21588995 http://dx.doi.org/10.1107/S1600536810040067 |
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