The crystal and molecular structure of anti-5,7,9,14,16,18-hexamethyl-1,3,10,12-tetrathia[3.3]metacyclophane

Abstract

The crystal and molecular structure of the title compound, C₂₀H₂₄S₄, has been determined by single-crystal X-ray analysis and refined to an R-value of 0.036. The crystal is monoclinic, space group P2₁/c, with a= 8.585(2), b= 15.189(3),c= 7.967(2)Å, β= 115.75(2)°, and Z= 2. The molecule has a crystallographic centre of symmetry and thus adopts the anti-conformation. The aromatic rings are nearly planer, while C(7), C(9)and S(1) phenyl substituents are remarkably displaced from coplanarity [0.224(3), 0.130(3), and –0.223(1)Å, respectively] to avoid too close mutual contacts with the bridging C(10)methylenes.