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3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole
In the molecule of the title compound, C(21)H(22)N(4)O(6)S, the planar central heterocyclic ring system is oriented with respect to the trimethoxyphenyl rings at dihedral angles of 2.60 (5) and 3.60 (6)°. Intramolecular C—H⋯N and C—H⋯S hydrogen bonds result in the formation of planar five- and si...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962044/ https://www.ncbi.nlm.nih.gov/pubmed/21203276 http://dx.doi.org/10.1107/S1600536808022502 |
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author | Du, Hai-Tang Du, Hai-Jun Zhou, Weiyi |
author_facet | Du, Hai-Tang Du, Hai-Jun Zhou, Weiyi |
author_sort | Du, Hai-Tang |
collection | PubMed |
description | In the molecule of the title compound, C(21)H(22)N(4)O(6)S, the planar central heterocyclic ring system is oriented with respect to the trimethoxyphenyl rings at dihedral angles of 2.60 (5) and 3.60 (6)°. Intramolecular C—H⋯N and C—H⋯S hydrogen bonds result in the formation of planar five- and six-membered rings. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules. There is a C—H⋯π contact between a methyl group and a trimethoxyphenyl ring, and a π–π contact between the central heterocyclic ring system and a trimethoxyphenyl ring [centroid–centroid distance = 3.640 (1) Å]. |
format | Text |
id | pubmed-2962044 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29620442010-12-30 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole Du, Hai-Tang Du, Hai-Jun Zhou, Weiyi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(21)H(22)N(4)O(6)S, the planar central heterocyclic ring system is oriented with respect to the trimethoxyphenyl rings at dihedral angles of 2.60 (5) and 3.60 (6)°. Intramolecular C—H⋯N and C—H⋯S hydrogen bonds result in the formation of planar five- and six-membered rings. In the crystal structure, intermolecular C—H⋯O hydrogen bonds link the molecules. There is a C—H⋯π contact between a methyl group and a trimethoxyphenyl ring, and a π–π contact between the central heterocyclic ring system and a trimethoxyphenyl ring [centroid–centroid distance = 3.640 (1) Å]. International Union of Crystallography 2008-07-23 /pmc/articles/PMC2962044/ /pubmed/21203276 http://dx.doi.org/10.1107/S1600536808022502 Text en © Du et al. 2008 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 Du, Hai-Tang Du, Hai-Jun Zhou, Weiyi 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title | 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_full | 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_fullStr | 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_full_unstemmed | 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_short | 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
title_sort | 3,6-bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962044/ https://www.ncbi.nlm.nih.gov/pubmed/21203276 http://dx.doi.org/10.1107/S1600536808022502 |
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