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1-Benzoyl-3-(4-chloro­phen­yl)thio­urea dichloro­methane hemisolvate

In the title hemisolvate, C(14)H(11)ClN(2)OS·0.5CH(2)Cl(2), an anti disposition is found for the thione and ketone atoms, as well as the N—H H atoms; the dichloro­methane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0....

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Detalles Bibliográficos
Autores principales: Selvakumaran, N., Sheeba, M. Mary, Karvembu, R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588922/
https://www.ncbi.nlm.nih.gov/pubmed/23476158
http://dx.doi.org/10.1107/S1600536812045588
Descripción
Sumario:In the title hemisolvate, C(14)H(11)ClN(2)OS·0.5CH(2)Cl(2), an anti disposition is found for the thione and ketone atoms, as well as the N—H H atoms; the dichloro­methane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0.021 Å) owing to the presence of an intra­molecular N—H⋯O hydrogen bond, which closes an S(6) loop. Significant twists are evident in the mol­ecule, the dihedral angles between the central moiety and the phenyl and benzene rings being 29.52 (7) and 40.02 (7)°, respectively. In the crystal, eight-membered {⋯HNC= S}(2) synthons with twofold symmetry form via N—H⋯S hydrogen bonds. The dimers are connected into a supra­molecular chain along [111] by C—H⋯O inter­actions. The chains stack along the c axis, forming columns which define channels in which the occluded dichloro­methane mol­ecules reside.