Crystal Structure of 4,4′-Diphenyl-2,2′-dithioxo-[4,4′-biimidazolidine]-5,5′-dione Bis(dimethylsulfoxide) Solvate

• Published in: Analytical Sciences ; X-ray Structure and Analysis Online Vol. 23; pp. x201 - x202
• Main Authors: OGAWA, Toshikazu, KITOH, Soh-ichi, OKAGAWA, Masaaki, ICHITANI, Masaki, KUWAE, Akio, HANAI, Kazuhiko, KUNIMOTO, Ko-Ki
• Format: Journal Article
• Language: English
• Published: Tokyo The Japan Society for Analytical Chemistry 2007; Japan Science and Technology Agency
• ISSN: 1348-2238; 1348-2238; 1883-3578
• DOI: 10.2116/analscix.23.x201

The crystal structure of the 1:2 dimethylsulfoxide solvate of 4,4′-diphenyl-2,2′-dithioxo-[4,4′-biimidazolidine]-5,5′-dione(I) has been determined by X-ray diffraction. The crystal belongs to space group C2/c with cell dimensions of a = 23.81(1)Å, b = 9.884(5)Å, c = 12.536(8)Å, β = 117.38(1)°. The compound, C18H14N4O2S2·2C2H6OS, crystallizes with half a molecule in the asymmetric unit, the molecule being centrosymmetric. The centre of inversion lies on the middle of the C(3)-C(3)′ bond. In crystals, the molecules form two N-H…O cyclic hydrogen bonds in a cyclic R22(12) arrangement, each of which forms on either side. DMSO molecules are hydrogen-bonded to the amide N-H groups. This hydrogen bond network forms an infinite tape structure along the c-axis.