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Cis-1,2-Bis{[4-(4-pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzene.

ABSTRACT: The mol-ecular skeleton of the title mol-ecule, C(26)H(20)N(6)S(2), adopts a cis conformation with the two arms positioned on one side of the benzene ring plane. Intra-molecular ?-? inter-actions between the pyrimidine rings [centroid-centroid distance = 3.654?(2)?Å] and between the pyridine rings [centroid-centroid distance = 3.775?(2)?Å] help to set the mol-ecular conformation; the pyrimidine rings, as well as the pyridine rings, are nearly parallel, forming dihedral angles of 4.12?(14) and 2.46?(14)°, respectively.

SUBMITTER: Dong HZ

PROVIDER: S-EPMC2972128 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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cis-1,2-Bis{[4-(4-pyrid-yl)pyrimidin-2-yl]sulfanylmeth-yl}benzene.

Dong Hua-Ze HZ Zhu Hai-Bin HB Gou Shao-Hua SH

Acta crystallographica. Section E, Structure reports online 20091104 Pt 12

The mol-ecular skeleton of the title mol-ecule, C(26)H(20)N(6)S(2), adopts a cis conformation with the two arms positioned on one side of the benzene ring plane. Intra-molecular π-π inter-actions between the pyrimidine rings [centroid-centroid distance = 3.654 (2) Å] and between the pyridine rings [centroid-centroid distance = 3.775 (2) Å] help to set the mol-ecular conformation; the pyrimidine rings, as well as the pyridine rings, are nearly parallel, forming dihedral angles of 4.12 (14) and 2. ...[more]

PMID: 21578717

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