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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...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Malladi, Shridhar, Isloor, Arun M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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.
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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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