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2-Benzyl-sulfanyl-4-[(4-methyl-phen-yl)sulfan-yl]-6-pentyl-pyrimidine-5-carbonitrile.

ABSTRACT: In the title compound, C(24)H(25)N(3)S(2), the S-bound benzene rings have orthogonal [dihedral angle = 85.31?(9)°] and splayed [67.92?(11)°] orientations with respect to the pyrimidine ring; the dihedral angle between the benzene rings is 48.18?(12)°. The pentyl group has an extended all-trans conformation and lies to one side of the pyrimidine ring [the N(py)-C(py)-C(p)-C(p) torsion angle = -85.7?(2)°; py = pyrimidine and p = pent-yl].

SUBMITTER: El-Emam AA

PROVIDER: S-EPMC3393321 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature

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2-Benzyl-sulfanyl-4-[(4-methyl-phen-yl)sulfan-yl]-6-pentyl-pyrimidine-5-carbonitrile.

El-Emam Ali A AA Al-Deeb Omar A OA El-Brollosy Nasser R NR Ng Seik Weng SW Tiekink Edward R T ER

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

In the title compound, C(24)H(25)N(3)S(2), the S-bound benzene rings have orthogonal [dihedral angle = 85.31 (9)°] and splayed [67.92 (11)°] orientations with respect to the pyrimidine ring; the dihedral angle between the benzene rings is 48.18 (12)°. The pentyl group has an extended all-trans conformation and lies to one side of the pyrimidine ring [the N(py)-C(py)-C(p)-C(p) torsion angle = -85.7 (2)°; py = pyrimidine and p = pent-yl]. ...[more]

PMID: 22807878

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2-Benzyl-sulfanyl-4-pentyl-6-(phenyl-sulfan-yl)pyrimidine-5-carbonitrile.

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