The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol-ecules corresponding to the R and S enanti-omers. The dihydro-pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700â (7) and 0.300â (7). In the crystal structure, mol-ecules are linked by inter-molecular N-Hâ¯O hydrogen-bonding inter-actions into one-dimensional chains along the c-axis direction. The chains are further connected by N-Hâ¯S hydrogen bonds, forming a three-dimensional network.
Ethyl 4-(4-cyano-phen-yl)-6-methyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.
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作者:Wu De-Hong, Zhang You-Hong, Li Zhu-Feng
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2009 | 起止号: | 2009 Jul 1; 65(Pt 8):o1733 |
| doi: | 10.1107/S1600536809024520 | ||
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