The asymmetric unit of the title compound, C(24)H(21)FN(2)O(5)S, consists of two crystallographically independent mol-ecules. In each mol-ecule, the central dihydro-pyrimidine ring is significantly puckered and adopts a conformation which is best described as an inter-mediate between a boat and a screw boat. The least-squares planes of the dihydro-pyrimidine rings are almost coplanar with the fluoro-substituted benzene rings, making dihedral angles of 9.04â (7) and 6.68â (7)°, and almost perpendicular to the meth-oxy-substituted benzene rings with dihedral angles of 89.23â (7) and 88.30â (7)°. In the mol-ecular structure, S(6) ring motifs are formed by C-Hâ¯O and C-Hâ¯S hydrogen bonds. In the crystal, mol-ecules are linked into a three-dimensional network by inter-molecular C-Hâ¯O and C-Hâ¯F hydrogen bonds. The crystal structure is further stabilized by a C-Hâ¯Ï inter-action.
Methyl (2Z)-2-(2-fluoro-4-meth-oxy-benzyl-idene)-5-(4-meth-oxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.
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作者:Fun Hoong-Kun, Loh Wan-Sin, Sarojini B K, Umesha K, Narayana B
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2011 | 起止号: | 2011 Aug 1; 67(Pt 8):o1913-4 |
| doi: | 10.1107/S1600536811025141 | ||
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