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N-[2-Chloro-6-(4-chloro-6-methoxy-pyrimidin-2-ylsulfan-yl)benz-yl]-3,4-dimethyl-aniline.

ABSTRACT: In the title mol-ecule, C(20)H(19)Cl(2)N(3)OS, the dihedral angle between the two benzene rings is 79.3?(7)°. The 4-chloro-6-methoxy-pyrimidine group is rotationally disordered over two sites by approximately 180°, the ratio of the refined occupancies being 0.6772?(15):0.3228?(15). Both disorder components of disorder are involved in intra-molecular N-H?N hydrogen bonds.

SUBMITTER: Fu W

PROVIDER: S-EPMC2971454 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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N-[2-Chloro-6-(4-chloro-6-methoxy-pyrimidin-2-ylsulfan-yl)benz-yl]-3,4-dimethyl-aniline.

Fu Weijun W Zhu Mei M Hong Dongfeng D

Acta crystallographica. Section E, Structure reports online 20091017 Pt 11

In the title mol-ecule, C(20)H(19)Cl(2)N(3)OS, the dihedral angle between the two benzene rings is 79.3 (7)°. The 4-chloro-6-methoxy-pyrimidine group is rotationally disordered over two sites by approximately 180°, the ratio of the refined occupancies being 0.6772 (15):0.3228 (15). Both disorder components of disorder are involved in intra-molecular N-H⋯N hydrogen bonds. ...[more]

PMID: 21578352

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