In the title compound, C14H14F4N2O3S, the central di-hydro-pyrimidine ring adopts a sofa conformation with the C atom bearing the 2-fluoro-benzene ring displaced by 0.596â (3)â à from the other five atoms. The 2-fluoro-benzene ring is positioned axially and bis-ects the pyrimidine ring with a dihedral angle of 70.92â (8)°. The mol-ecular conformation is stabilized by an intra-molecular O-Hâ¯O hydrogen bond, generating an S(6) ring. The crystal structure features C-Hâ¯F, N-Hâ¯S and N-Hâ¯O hydrogen bonds, which link the mol-ecules into a three-dimensional network.
Crystal structure of ethyl 6-(2-fluoro-phen-yl)-4-hy-droxy-2-sulfanyl-idene-4-tri-fluoro-meth-yl-1,3-diazinane-5-carboxyl-ate.
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作者:Krishnamurthy M S, Begum Noor Shahina
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2015 | 起止号: | 2015 Apr 2; 71(Pt 5):o268-9 |
| doi: | 10.1107/S2056989015005836 | ||
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