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, C21H22N4O6S, 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 resu...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2008-08-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536808022502 |
| _version_ | 1819002547088654336 |
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| author | Hai-Tang Du Weiyi Zhou Hai-Jun Du |
| author_facet | Hai-Tang Du Weiyi Zhou Hai-Jun Du |
| author_sort | Hai-Tang Du |
| collection | DOAJ |
| description | In the molecule of the title compound, C21H22N4O6S, 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]. |
| first_indexed | 2024-12-20T23:06:50Z |
| format | Article |
| id | doaj.art-8bc72950081e4b2ca78b43bdc5e54a1c |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-20T23:06:50Z |
| publishDate | 2008-08-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-8bc72950081e4b2ca78b43bdc5e54a1c2022-12-21T19:23:50ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682008-08-01648o1577o157710.1107/S16005368080225023,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazoleHai-Tang DuWeiyi ZhouHai-Jun DuIn the molecule of the title compound, C21H22N4O6S, 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].http://scripts.iucr.org/cgi-bin/paper?S1600536808022502 |
| spellingShingle | Hai-Tang Du Weiyi Zhou Hai-Jun Du 3,6-Bis(3,4,5-trimethoxyphenyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole Acta Crystallographica Section E |
| 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 |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536808022502 |
| work_keys_str_mv | AT haitangdu 36bis345trimethoxyphenyl124triazolo34b134thiadiazole AT weiyizhou 36bis345trimethoxyphenyl124triazolo34b134thiadiazole AT haijundu 36bis345trimethoxyphenyl124triazolo34b134thiadiazole |