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Journal of Structural Chemistry

2012 year, number 3

SUPRAMOLECULAR ARCHITECTURE OF A 1:1 COMPLEX OF PYROGALLOL WITH DIMETHYLSULFOXIDE

T. M. Polyanskaya, A. I. Smolentsev
Keywords: pyrogallol, dimethylsulfoxide, structure, single crystal, molecular complex, intermolecular interaction, hydrogen bond
Pages: 574-579

Abstract

The crystal structure is solved for a 1:1 molecular complex of pyrogallol and dimethylsulfoxide. Crystal dat a: C8H12O4S, M = 204.24, orthorhombic, Pna21 space group; unit cell parameters: a = 10.9620(4) Е, b = 10.9542(4) Е, c = 8.0561(3) Е, V = 967.38(6) Е3, Z = 4, dx = 1.402 g/cm3, R1 = 0.0216, T = 150 K. The molecules are joined in a supramolecular ensemble by O-HпO and C-HпА hydrogen bonds.