SUPRAMOLECULAR ARCHITECTURE OF CATECHOL AND ITS 2:1 COMPLEX WITH DIMETHYLSULFOXIDE
T. M. Polyanskaya, K. A. Khaldoyanidi, A. I. Smolentsev
Keywords: catechol, dihydroxybenzene, dimethylsulfoxide, structure, single crystal, diagram, molecular complex, intermolecular interaction, hydrogen bond
Pages: 342-349
Abstract
The crystal structures of catechol (o-dihydroxybenzene) and its 2:1 complex with dimethylsulfoxide are determined at T = 150 K. Crystal dat a: C14H18O5S, M = 298.37, triclinic, space group unit cell parameters: a = 7.7285(13) Е, b = 9.9924(17) Е, c = 10.3188(18) Е, ± = 89.963(4)°, І = 89.968(4)°, і = 69.076(5)°, V = 744.3(2) Е3, Z = 2, Dx = 1.331 g/cm3, R1 = 0.048; C6H6O2, М = 110.11, monoclinic, space group P21/n, a = 9.8206(6) Е, b = 5.5903(3) Е, c = 10.4439(6) Е, І = 114.952(2)°; V = 519.85(5) Е3, Z = 4, Dx= 1.407 g/cm3, R1 = 0.0289. In the 2:1 complex the molecules are joined in a supramolecular ensemble by D-H…A hydrogen bonds (D = O, C; A = O, А); in catechol they are bonded only by O-H…O. The state diagram of the catechol-dimethylsulfoxide system is examined by DTA.
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