Date Published: April 01, 2011
Publisher: International Union of Crystallography
Author(s): Burkhon Zh. Elmuradov, Khurshed A. Bozorov, Rasul Ya. Okmanov, Bakhodir Tashkhodjaev, Khusnutdin M. Shakhidoyatov.
There are two independent molecules in the asymmetric unit of the title compound, C12H12N2O3S. With the exception of the methylene groups, a mean plane fitted through all non-H atoms of each molecule has an r.m.s. deviation of 0.035 Å for one molecule and 0.120 Å for the second. In one of the independent molecules, the methylene groups was refined using a disorder model with an occupancy ratio of 0.53:0.47 (14). Each molecule features an intramolecular O—H⋯O hydrogen bond, which generates an S(7) ring.
For the synthesis of thieno[2,3-d]pyrimidin-4-ones and their derivatives, see: Litvinov (2004 ▶); Elmuradov et al. (2010 ▶); Csukonyi et al. (1986 ▶). For the physiological activity of thieno[2,3-d]pyrimidin-4-ones and their derivatives, see: Lilienkampf et al. (2007 ▶). For a related structure, see: Bozorov et al. (2010 ▶). For hydrogen-bond motifs, see: Bernstein et al. (1995 ▶).