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2-[(4-Chloro-benz-yl)sulfan-yl]-4-(2-methyl-prop-yl)-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

ABSTRACT: In the title compound, C(22)H(20)ClN(3)S(2), the S-bound benzene rings are inclined [dihedral angles = 78.13?(10) and 36.70?(9)°] with respect to the pyrimidine ring. The methyl-propyl group occupies a position normal to the pyrimidine ring [N-C-C-C torsion angle = 92.3?(2)°]. In the crystal, supra-molecular layers are formed in the bc plane, being consolidated by C-H?? and ?-? inter-actions, the latter between the pyrimidine and S-bound benzene rings [inter-centroid distance = 3.7683?(12)?Å].

SUBMITTER: El-Emam AA 

PROVIDER: S-EPMC3393322 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-[(4-Chloro-benz-yl)sulfan-yl]-4-(2-methyl-prop-yl)-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

El-Emam Ali A AA   Al-Deeb Omar A OA   Al-Turkistani Abdulghafoor A AA   Ng Seik Weng SW   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20120613 Pt 7

In the title compound, C(22)H(20)ClN(3)S(2), the S-bound benzene rings are inclined [dihedral angles = 78.13 (10) and 36.70 (9)°] with respect to the pyrimidine ring. The methyl-propyl group occupies a position normal to the pyrimidine ring [N-C-C-C torsion angle = 92.3 (2)°]. In the crystal, supra-molecular layers are formed in the bc plane, being consolidated by C-H⋯π and π-π inter-actions, the latter between the pyrimidine and S-bound benzene rings [inter-centroid distance = 3.7683 (12) Å]. ...[more]

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