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2-[(4-Chloro­benz­yl)sulfanyl]-4-(2-methyl­prop­yl)-6-[3-(trifluoro­meth­yl)anilino]­pyrimidine-5-carbonitrile

Three independent mol­ecules comprise the asymmetric unit of the title compound, C(23)H(20)ClF(3)N(4)S. The conformations of the mol­ecules are similar with the chloro­benzene and CF(3)-benzene rings almost perpendicular to, and almost co-planar with, the pyrimidinyl ring [range of dihedral angles =...

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Detalles Bibliográficos
Autores principales: El-Emam, Ali A., Al-Deeb, Omar A., El-Brollosy, Nasser 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/PMC3393324/
https://www.ncbi.nlm.nih.gov/pubmed/22807881
http://dx.doi.org/10.1107/S1600536812025895
Descripción
Sumario:Three independent mol­ecules comprise the asymmetric unit of the title compound, C(23)H(20)ClF(3)N(4)S. The conformations of the mol­ecules are similar with the chloro­benzene and CF(3)-benzene rings almost perpendicular to, and almost co-planar with, the pyrimidinyl ring [range of dihedral angles = 80.36 (13)–88.07 (14) and 11.89 (14)–23.30 (14)°, respectively]; the benzene rings are roughly orthogonal to each other [64.81 (16)–72.16 (15)°]. In the crystal, two of the independent mol­ecules associate via weak N—H⋯N(cyano) hydrogen bonds and 12-membered {⋯HNC(3)N}(2) synthons; the third independent mol­ecule self-associates similarly but about a centre of inversion. The sample studied was found to be a non-merohedral twin and the minor twin component refined to 47.16 (7)%.