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6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole

In the title compound, C(19)H(19)ClN(4)S, the 2-chloro­phenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thia­diazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C...

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Detalles Bibliográficos
Autores principales: Tahir, M. Nawaz, Khan, Mahmood-ul-Hassan, Hammed, Shahid, Bokhari, Tanveer Hussain, Hina, Saira
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099922/
https://www.ncbi.nlm.nih.gov/pubmed/21754038
http://dx.doi.org/10.1107/S1600536811011391
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author Tahir, M. Nawaz
Khan, Mahmood-ul-Hassan
Hammed, Shahid
Bokhari, Tanveer Hussain
Hina, Saira
author_facet Tahir, M. Nawaz
Khan, Mahmood-ul-Hassan
Hammed, Shahid
Bokhari, Tanveer Hussain
Hina, Saira
author_sort Tahir, M. Nawaz
collection PubMed
description In the title compound, C(19)H(19)ClN(4)S, the 2-chloro­phenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thia­diazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C—C bond to the thia­diazole ring, which was modelled as occupying four orientations each with 0.25 occupancy. In the crystal, the chloro­phenyl rings exhibit π–π stacking inter­actions with centroid–centroid distances of 3.9526 (18) Å.
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spelling pubmed-30999222011-07-13 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole Tahir, M. Nawaz Khan, Mahmood-ul-Hassan Hammed, Shahid Bokhari, Tanveer Hussain Hina, Saira Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(19)ClN(4)S, the 2-chloro­phenyl and [1,2,4]triazolo[3,4-b] [1,3,4]thia­diazole fragments (r.m.s. deviations of 0.015 and 0.017 Å, respectively) are oriented at a dihedral angle of 55.76 (6)°. The adamantane group exhibits extensive rotational disorder about the single C—C bond to the thia­diazole ring, which was modelled as occupying four orientations each with 0.25 occupancy. In the crystal, the chloro­phenyl rings exhibit π–π stacking inter­actions with centroid–centroid distances of 3.9526 (18) Å. International Union of Crystallography 2011-03-31 /pmc/articles/PMC3099922/ /pubmed/21754038 http://dx.doi.org/10.1107/S1600536811011391 Text en © Tahir 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
Tahir, M. Nawaz
Khan, Mahmood-ul-Hassan
Hammed, Shahid
Bokhari, Tanveer Hussain
Hina, Saira
6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_full 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_fullStr 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_full_unstemmed 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_short 6-(1-Adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
title_sort 6-(1-adamant­yl)-3-(2-chloro­phen­yl)-1,2,4-triazolo[3,4-b][1,3,4]thia­diazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099922/
https://www.ncbi.nlm.nih.gov/pubmed/21754038
http://dx.doi.org/10.1107/S1600536811011391
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