3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea

The structure of the title thio­urea derivative, C(14)H(16)N(4)O(5)S, features an almost planar central C(2)N(2)OS fragment (r.m.s. deviation = 0.005 Å), an arrangement stabilized by an intra­molecular N—H⋯O hydrogen bond. The terminal rings are twisted out of this plane, the dihedral angle formed w...

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Detalles Bibliográficos
Autores principales: Saeed, Sohail, Rashid, Naghmana, Sher, Muhammad, Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089179/
https://www.ncbi.nlm.nih.gov/pubmed/21754456
http://dx.doi.org/10.1107/S1600536811013377
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author Saeed, Sohail
Rashid, Naghmana
Sher, Muhammad
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Saeed, Sohail
Rashid, Naghmana
Sher, Muhammad
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Saeed, Sohail
collection PubMed
description The structure of the title thio­urea derivative, C(14)H(16)N(4)O(5)S, features an almost planar central C(2)N(2)OS fragment (r.m.s. deviation = 0.005 Å), an arrangement stabilized by an intra­molecular N—H⋯O hydrogen bond. The terminal rings are twisted out of this plane, the dihedral angle formed with the benzene ring being 33.22 (10)°. The cyclo­hexyl ring is disordered, with two orientations (50:50) being resolved. The mean plane passing through the atoms of each disordered component forms dihedral angles of 65.7 (2) and 82.4 (3)° with the central plane. Centrosymmetric dimers mediated by an eight-membered {⋯HNC=S}(2) synthon occur in the crystal.
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spelling pubmed-30891792011-07-13 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea Saeed, Sohail Rashid, Naghmana Sher, Muhammad Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title thio­urea derivative, C(14)H(16)N(4)O(5)S, features an almost planar central C(2)N(2)OS fragment (r.m.s. deviation = 0.005 Å), an arrangement stabilized by an intra­molecular N—H⋯O hydrogen bond. The terminal rings are twisted out of this plane, the dihedral angle formed with the benzene ring being 33.22 (10)°. The cyclo­hexyl ring is disordered, with two orientations (50:50) being resolved. The mean plane passing through the atoms of each disordered component forms dihedral angles of 65.7 (2) and 82.4 (3)° with the central plane. Centrosymmetric dimers mediated by an eight-membered {⋯HNC=S}(2) synthon occur in the crystal. International Union of Crystallography 2011-04-16 /pmc/articles/PMC3089179/ /pubmed/21754456 http://dx.doi.org/10.1107/S1600536811013377 Text en © Saeed 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
Saeed, Sohail
Rashid, Naghmana
Sher, Muhammad
Ng, Seik Weng
Tiekink, Edward R. T.
3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title_full 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title_fullStr 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title_full_unstemmed 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title_short 3-Cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
title_sort 3-cyclo­hexyl-1-(3,5-dinitro­benzo­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089179/
https://www.ncbi.nlm.nih.gov/pubmed/21754456
http://dx.doi.org/10.1107/S1600536811013377
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