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4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

ABSTRACT: In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99?(4)°. In the crystal, inter-molecular N-H?N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H?S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face ?-? stacking inter-actions in a zigzag fashion along the c axis, with perpendicular ring distances of 3.463 and 3.639?Å, and a dihedral angle between the planes of 3.99?(2)°. The distance between the ring centroids is 4.420?(2)?Å.

SUBMITTER: Zhao QH

PROVIDER: S-EPMC2977289 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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4-(4-Chloro-phen-yl)-6-(methyl-sulfan-yl)pyrimidin-2-amine.

Zhao Qi-Hua QH Li Li-Nan LN Wang Kun-Miao KM

Acta crystallographica. Section E, Structure reports online 20090708 Pt 8

In the title compound, C(11)H(10)ClN(3)S, the dihedral angle between the benzene and pyrimidine rings is 3.99 (4)°. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into ribbons of R(2) (2)(8) rings parallel to [100]. Weak C-H⋯S contacts connect adjacent ribbons into a two-dimensional undulating layer-like structure extending parallel to (110). The benzene and pyrimidine rings of adjacent mol-ecules have the offset face-to-face π-π stacking inter-actions in a zigzag fashi ...[more]

PMID: 21583499

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