Abstract
In the title molecule, C18H12N6S2, the C—S—S—C torsion angle is 96.12 (9)°. The dihedral angles between the pyridyl and pyrimidinyl rings are 16.7 (1) and 1.27 (9)°. In the crystal, intermolecular π–π interactions between the aromatic rings [centroid–centroid distances = 3.888 (2) and 3.572 (1) Å] link molecules into chains propagating in [011].
Highlights
Structure Reports OnlineKey indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.003 A; R factor = 0.056; wR factor = 0.158; data-to-parameter ratio = 16.9
The dihedral angles between the pyridyl and pyrimidinyl rings are 16.7 (1) and 1.27 (9)
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV2571)
Summary
Key indicators: single-crystal X-ray study; T = 298 K; mean (C–C) = 0.003 A; R factor = 0.056; wR factor = 0.158; data-to-parameter ratio = 16.9. C18H12N6S2, the C—S—S—C torsion angle is 96.12 (9). The dihedral angles between the pyridyl and pyrimidinyl rings are 16.7 (1) and 1.27 (9). Intermolecular – interactions between the aromatic rings [centroid–centroid distances = 3.888 (2) and 3.572 (1) A ] link molecules into chains propagating in [011]. Related literature For related crystal structures, see: Ji et al (2009); Higashi et al (1978); Tabellion et al (2001). For general background to heterocyclic disulfides, see: Horikoshi & Mochida (2006)
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