Phase Equilibria in the ThioureaBenzene System

G. N. Chekhova, T. Ya. Arapova, Yu. V. Shubin, and D. V. Pinakov

Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences,
pr. Akademika Lavrent’eva 3, Novosibirsk, 630090 Russia

e-mail: graphite@ngs.ru

Received April 2, 2008

Abstract—Phase equilibria in the thiourea (host)–benzene (guest) binary system with clathrate formation were
studied over the temperature range 260–460 K by physicochemical analysis methods. The stoichiometry and
conditions of the existence of the 2.40(0.02)(NH₂)₂CS · C₆H₆ compound, which incongruently decomposed
at 358.7 K into rhombic thiourea and the guest component, were determined. The parameters of the Bravais-
rhombohedral cell of the clathrate (space group ) were found to be a = 15.921(6), c = 12.417(8) Å, and
V= 2725(5) ų; d_calc = 1.192 g/cm³ and d_expt = 1.195(7) g/cm³. The packing of guest molecules in the rhombo-
hedral host framework was modeled taking into account stoichiometry and unit cell parameters to show that
benzene molecule planes were tilted with respect to the c channel axis with the formation of a monomolecular
closely packed chain in the guest subsystem.

DOI: 10.1134/S0036024409050069

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