The asymmetric unit of the title compound, C(20)H(18)F(2)N(2)O(2)S, contains four independent mol-ecules, two of which are paired into a dimer by way of two N-Hâ¯S hydrogen bonds. The other two independent mol-ecules are paired into two centrosymmetric dimers via pairs of inter-molecular N-Hâ¯S hydrogen bonds. In one mol-ecule, the carboxyl-ate O atoms, methyl-ene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908â (3):0.092â (3) ratio. In two of the independent mol-ecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C-C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak inter-molecular C-Hâ¯O hydrogen bonds.
Ethyl 4-(2,4-difluoro-phen-yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.
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作者:Fun Hoong-Kun, Jebas Samuel Robinson, Babu M, Kalluraya B
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2009 | 起止号: | 2009 Apr 8; 65(Pt 5):o981-2 |
| doi: | 10.1107/S160053680901232X | ||
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