5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine
In the title molecule, C9H8N4O2S, the dihedral angle between the thiadiazole and benzene rings is 73.92 (8)° and the thiadiazole group S atom is orientated towards the benzene ring, the central S—C—C—C torsion angle being 45.44&...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-12-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809049654 |
| _version_ | 1819280037477613568 |
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| author | James L. Wardell Edward R. T. Tiekink Edson F. da Silva Larisse O. de Feitosa Samir A. Carvalho Solange M. S. V. Wardell |
| author_facet | James L. Wardell Edward R. T. Tiekink Edson F. da Silva Larisse O. de Feitosa Samir A. Carvalho Solange M. S. V. Wardell |
| author_sort | James L. Wardell |
| collection | DOAJ |
| description | In the title molecule, C9H8N4O2S, the dihedral angle between the thiadiazole and benzene rings is 73.92 (8)° and the thiadiazole group S atom is orientated towards the benzene ring, the central S—C—C—C torsion angle being 45.44 (18)°. In the crystal, supramolecular tapes mediated by N—H...N hydrogen bonds and comprising alternating eight-membered {...HNCN}2 and 10-membered {...HNH...NN}2 synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a combination of C—H...O, C—H...S and C—H...π interactions |
| first_indexed | 2024-12-24T00:37:26Z |
| format | Article |
| id | doaj.art-b828128ce142469d82467a319d9448ca |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-24T00:37:26Z |
| publishDate | 2009-12-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-b828128ce142469d82467a319d9448ca2022-12-21T17:24:02ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-12-016512o3200o320110.1107/S16005368090496545-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amineJames L. WardellEdward R. T. TiekinkEdson F. da SilvaLarisse O. de FeitosaSamir A. CarvalhoSolange M. S. V. WardellIn the title molecule, C9H8N4O2S, the dihedral angle between the thiadiazole and benzene rings is 73.92 (8)° and the thiadiazole group S atom is orientated towards the benzene ring, the central S—C—C—C torsion angle being 45.44 (18)°. In the crystal, supramolecular tapes mediated by N—H...N hydrogen bonds and comprising alternating eight-membered {...HNCN}2 and 10-membered {...HNH...NN}2 synthons are formed along [010]. The tapes are consolidated into a three-dimensional network by a combination of C—H...O, C—H...S and C—H...π interactionshttp://scripts.iucr.org/cgi-bin/paper?S1600536809049654 |
| spellingShingle | James L. Wardell Edward R. T. Tiekink Edson F. da Silva Larisse O. de Feitosa Samir A. Carvalho Solange M. S. V. Wardell 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine Acta Crystallographica Section E |
| title | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine |
| title_full | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine |
| title_fullStr | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine |
| title_full_unstemmed | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine |
| title_short | 5-(3-Nitrobenzyl)-1,3,4-thiadiazol-2-amine |
| title_sort | 5 3 nitrobenzyl 1 3 4 thiadiazol 2 amine |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809049654 |
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