Cargando…
(E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate
The title compound, C(15)H(16)N(6)O(2)S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59 (8) and 73.94 (8)°, respectively, with the 1,2,4-triazole and benzene rings. The molecular structure is stabilized by an intra...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201362/ https://www.ncbi.nlm.nih.gov/pubmed/22065521 http://dx.doi.org/10.1107/S1600536811037287 |
_version_ | 1782214857405235200 |
---|---|
author | Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna |
author_facet | Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | The title compound, C(15)H(16)N(6)O(2)S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59 (8) and 73.94 (8)°, respectively, with the 1,2,4-triazole and benzene rings. The molecular structure is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular N—H⋯S hydrogen bonds, generating eight-membered R (2) (2)(8) ring motifs. The dimers are further connected by C—H⋯O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744 (7) and 0.256 (7). |
format | Online Article Text |
id | pubmed-3201362 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32013622011-11-06 (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(16)N(6)O(2)S, exists in a trans configuration with respect to the acyclic N=C bond. The 1,2,3-oxadiazol-3-ium ring makes dihedral angles of 10.59 (8) and 73.94 (8)°, respectively, with the 1,2,4-triazole and benzene rings. The molecular structure is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(6) ring motif. In the crystal, molecules are linked into inversion dimers by pairs of intermolecular N—H⋯S hydrogen bonds, generating eight-membered R (2) (2)(8) ring motifs. The dimers are further connected by C—H⋯O hydrogen bonds, forming a sheet parallel to the bc plane. The ethyl group is disordered over two sets of sites with occupancies of 0.744 (7) and 0.256 (7). International Union of Crystallography 2011-09-17 /pmc/articles/PMC3201362/ /pubmed/22065521 http://dx.doi.org/10.1107/S1600536811037287 Text en © Fun 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 Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title | (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title_full | (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title_fullStr | (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title_full_unstemmed | (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title_short | (E)-4-{[(3-Propyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
title_sort | (e)-4-{[(3-propyl-5-sulfanylidene-4,5-dihydro-1h-1,2,4-triazol-4-yl)imino]methyl}-3-(p-tolyl)-1,2,3-oxadiazol-3-ium-5-olate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3201362/ https://www.ncbi.nlm.nih.gov/pubmed/22065521 http://dx.doi.org/10.1107/S1600536811037287 |
work_keys_str_mv | AT funhoongkun e43propyl5sulfanylidene45dihydro1h124triazol4yliminomethyl3ptolyl123oxadiazol3ium5olate AT quahchingkheng e43propyl5sulfanylidene45dihydro1h124triazol4yliminomethyl3ptolyl123oxadiazol3ium5olate AT nithinchandra e43propyl5sulfanylidene45dihydro1h124triazol4yliminomethyl3ptolyl123oxadiazol3ium5olate AT kallurayabalakrishna e43propyl5sulfanylidene45dihydro1h124triazol4yliminomethyl3ptolyl123oxadiazol3ium5olate |