In the title compound, C(22)H(17)BrN(2)O(4)S, the central dihydropyrimidine ring, with a chiral C atom, is significantly puckered and adopts a half-chair conformation with the chiral C atom displaced from the mean plane of the remaining ring atoms by 0.305â (6)â à . The hydroxy-phenyl ring is positioned axially to the pyrimidine ring and almost bisects it, the dihedral angle between the mean-planes of the two rings being 89.78â (12)°. The meth-oxy-carbonyl group is disordered over two sites with an occupancy ratio of 0.568â (5):0.432â (5), resulting in a major and a minor conformer. In the crystal, O-Hâ¯N and C-Hâ¯S inter-actions result in sheets along the c axis. The supra-molecular assembly is stabilized by Ï-Ï stacking inter-actions between the 2-bromo-benzyl-idene and thia-zolopyrimidine rings [centroid-centroid distance = 3.632â (1)â à ]. In addition, C-Hâ¯Ï inter-actions are also observed in the crystal structure.
Methyl 2-(2-bromo-benzyl-idene)-5-(4-hy-droxy-phen-yl)-7-methyl-3-oxo-2,3-dihydro-5H-1,3-thia-zolo[3,2-a]pyrimidine-6-carboxyl-ate.
2-(2-溴苄基亚甲基)-5-(4-羟基苯基)-7-甲基-3-氧代-2,3-二氢-5H-1,3-噻唑并[3,2-a]嘧啶-6-羧酸甲酯
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作者:Nagarajaiah H, Fathima Nikhath, Begum Noor Shahina
| 期刊: | Acta Crystallographica Section E-Structure Reports Online | 影响因子: | 0.600 |
| 时间: | 2012 | 起止号: | 2012 Apr 1; 68(Pt 4):o1257-8 |
| doi: | 10.1107/S1600536812013311 | ||
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