2-[(4-Chloro-benz-yl)sulfanyl]-4-(2-methyl-prop-yl)-6-[3-(trifluoro-meth-yl)anilino]-pyrimidine-5-carbonitrile.
Acta Crystallogr Sect E Struct Rep Online
; 68(Pt 7): o2059-60, 2012 Jul 01.
Article
em En
| MEDLINE
| ID: mdl-22807881
ABSTRACT
Three independent mol-ecules comprise the asymmetric unit of the title compound, C(23)H(20)ClF(3)N(4)S. The conformations of the mol-ecules are similar with the chloro-benzene and CF(3)-benzene rings almost perpendicular to, and almost co-planar with, the pyrimidinyl ring [range of dihedral angles = 80.36â
(13)-88.07â
(14) and 11.89â
(14)-23.30â
(14)°, respectively]; the benzene rings are roughly orthogonal to each other [64.81â
(16)-72.16â
(15)°]. In the crystal, two of the independent mol-ecules associate via weak N-Hâ¯N(cyano) hydrogen bonds and 12-membered {â¯HNC(3)N}(2) synthons; the third independent mol-ecule 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 47.16â
(7)%.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr Sect E Struct Rep Online
Ano de publicação:
2012
Tipo de documento:
Article