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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Text |
id | pubmed-3099922 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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