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
Descripción
Sumario: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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