Crystal structure of meso-3,3'-(1,4-phenyl-ene)bis-(2-phenyl-2,3,5,6-tetra-hydro-4H-1,3-thia-zin-4-one)

内消旋-3,3'-(1,4-亚苯基)双-(2-苯基-2,3,5,6-四氢-4H-1,3-噻嗪-4-酮)的晶体结构

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Abstract

The crystal structure of the title compound - meso-C(26)H(24)N(2)O(2)S(2) with two stereocenters - has half the mol-ecule in the asymmetric unit with the other half generated by a crystallographic center of inversion. The thia-zine ring is in a conformation that is between half-chair and envelope [θ = 52.51 (17)°]. The phenyl ring on the 2-carbon atom of the thia-zine ring is pseudo-axial. The central phenyl ring of the mol-ecule is close to orthogonal to the phenyl rings on either side with an angle of 76.85 (11)° between those planes. In the crystal, pairwise, weak C-H⋯O hydrogen bonds between the central phenyl ring and the oxygen atoms of neighboring mol-ecules result in continuous strips propagating along the a-axis direction. Hydro-phobic inter-actions of the C-H⋯π type are also observed.

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