5-(3-Nitro­benz­yl)-1,3,4-thia­diazol-2-amine

In the title mol­ecule, C(9)H(8)N(4)O(2)S, 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⋯...

Descripción completa

Detalles Bibliográficos
Autores principales: Carvalho, Samir A., de Feitosa, Larisse O., da Silva, Edson F., Tiekink, Edward R. T., Wardell, James L., Wardell, Solange M. S. V.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971864/
https://www.ncbi.nlm.nih.gov/pubmed/21578910
http://dx.doi.org/10.1107/S1600536809049654
_version_ 1782190687650840576
author Carvalho, Samir A.
de Feitosa, Larisse O.
da Silva, Edson F.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_facet Carvalho, Samir A.
de Feitosa, Larisse O.
da Silva, Edson F.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
author_sort Carvalho, Samir A.
collection PubMed
description In the title mol­ecule, C(9)H(8)N(4)O(2)S, 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
format Text
id pubmed-2971864
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29718642010-12-30 5-(3-Nitro­benz­yl)-1,3,4-thia­diazol-2-amine Carvalho, Samir A. de Feitosa, Larisse O. da Silva, Edson F. Tiekink, Edward R. T. Wardell, James L. Wardell, Solange M. S. V. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(9)H(8)N(4)O(2)S, 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 International Union of Crystallography 2009-11-25 /pmc/articles/PMC2971864/ /pubmed/21578910 http://dx.doi.org/10.1107/S1600536809049654 Text en © Carvalho et al. 2009 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
Carvalho, Samir A.
de Feitosa, Larisse O.
da Silva, Edson F.
Tiekink, Edward R. T.
Wardell, James L.
Wardell, Solange M. S. V.
5-(3-Nitro­benz­yl)-1,3,4-thia­diazol-2-amine
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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971864/
https://www.ncbi.nlm.nih.gov/pubmed/21578910
http://dx.doi.org/10.1107/S1600536809049654
work_keys_str_mv AT carvalhosamira 53nitrobenzyl134thiadiazol2amine
AT defeitosalarisseo 53nitrobenzyl134thiadiazol2amine
AT dasilvaedsonf 53nitrobenzyl134thiadiazol2amine
AT tiekinkedwardrt 53nitrobenzyl134thiadiazol2amine
AT wardelljamesl 53nitrobenzyl134thiadiazol2amine
AT wardellsolangemsv 53nitrobenzyl134thiadiazol2amine

Ejemplares similares