3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate

The asymmetric unit of the title compound, C(11)H(11)N(5)O(2)S·0.5C(4)H(8)O(2), contains one 3-(p-tol­yl)sydnone 4-thio­semi­carba­zone mol­ecule and a half mol­ecule of 1,4-dioxane, which lies abount an inversion centre. The sydnone ring is almost planar, with a maximum deviation of 0.002 (1) Å, an...

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Autores principales: Abdul Rahiman, M., Ravikumar, G. N., Loh, Wan-Sin, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648259/
https://www.ncbi.nlm.nih.gov/pubmed/23723879
http://dx.doi.org/10.1107/S1600536813008805
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author Abdul Rahiman, M.
Ravikumar, G. N.
Loh, Wan-Sin
Razak, Ibrahim Abdul
author_facet Abdul Rahiman, M.
Ravikumar, G. N.
Loh, Wan-Sin
Razak, Ibrahim Abdul
author_sort Abdul Rahiman, M.
collection PubMed
description The asymmetric unit of the title compound, C(11)H(11)N(5)O(2)S·0.5C(4)H(8)O(2), contains one 3-(p-tol­yl)sydnone 4-thio­semi­carba­zone mol­ecule and a half mol­ecule of 1,4-dioxane, which lies abount an inversion centre. The sydnone ring is almost planar, with a maximum deviation of 0.002 (1) Å, and forms a dihedral angle of 46.31 (5)° with the benzene ring. In the crystal, the two components are linked into a tape along [01-1] by N—H⋯O and N—H⋯S hydrogen bonds. The crystal structure is further stabilized by C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional network.
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spelling pubmed-36482592013-05-30 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate Abdul Rahiman, M. Ravikumar, G. N. Loh, Wan-Sin Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(11)H(11)N(5)O(2)S·0.5C(4)H(8)O(2), contains one 3-(p-tol­yl)sydnone 4-thio­semi­carba­zone mol­ecule and a half mol­ecule of 1,4-dioxane, which lies abount an inversion centre. The sydnone ring is almost planar, with a maximum deviation of 0.002 (1) Å, and forms a dihedral angle of 46.31 (5)° with the benzene ring. In the crystal, the two components are linked into a tape along [01-1] by N—H⋯O and N—H⋯S hydrogen bonds. The crystal structure is further stabilized by C—H⋯O and C—H⋯π inter­actions, forming a three-dimensional network. International Union of Crystallography 2013-04-13 /pmc/articles/PMC3648259/ /pubmed/23723879 http://dx.doi.org/10.1107/S1600536813008805 Text en © Abdul Rahiman et al. 2013 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
Abdul Rahiman, M.
Ravikumar, G. N.
Loh, Wan-Sin
Razak, Ibrahim Abdul
3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title_full 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title_fullStr 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title_full_unstemmed 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title_short 3-(4-Methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
title_sort 3-(4-methyl­phen­yl)-4-[(thio­semi­carba­zono)meth­yl]-1,2,3-oxa­diazol-3-ium-5-olate 1,4-dioxane hemisolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3648259/
https://www.ncbi.nlm.nih.gov/pubmed/23723879
http://dx.doi.org/10.1107/S1600536813008805
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