CRYSTAL STRUCTURE OF CATENA-(2-THIO-BARBITURATO)DITHALLIUM(I)
N. N. Golovnev1, M. S. Molokeev2
1Siberian Federal University, Krasnoyarsk
2L.V. Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Krasnoyarsk
Keywords: crystal structure, catena-2-(thiobarbiturato)dithallium(I), hydrogen bonds, π-π interaction
Abstract
By powder X-ray diffraction the crystal structure of catena-(2-thiobarbiturato)dithallium (I) C4H2N2O2STl2 (C4H4N2O2S is 2-thiobarbituric acid, Н2ТBA), Tl2TBA, is determined. Crystallographic data for Tl2TBA are as follows: a = 15.1039(3) Å, b = 12.0818(2) Å, c = 3.86455(6) Å, β = 97.203(1)°, V = 741.34(2) Å3, space group P21/n, Z = 4. There are two non-equivalent thallium atoms in the structure. The Tl1 polyhedron is a distorted trigonal prism due to the shortened Tl-S contact (3.634 Å), and the Tl2 polyhedron is a distorted square antiprism.
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