首页> 外文期刊>IUCrData >Methyl 2-{[(6S*,7R*,8S*)-7-acetyl-8-(4-chloro-phen-yl)-4-cyano-6-hy-dr-oxy-1,6-di-methyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl]sulfan-yl}acetate
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Methyl 2-{[(6S*,7R*,8S*)-7-acetyl-8-(4-chloro-phen-yl)-4-cyano-6-hy-dr-oxy-1,6-di-methyl-5,6,7,8-tetra-hydro-isoquinolin-3-yl]sulfan-yl}acetate

机译:甲基2-{[((6S *,7R *,8S *)-7-乙酰基-8-(4-氯-苯基)-4-氰基-6-hy-dr-oxy-1,6-di- 5,6,7,8-四氢异喹啉-3-基甲基]硫代基}乙酸甲酯

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摘要

In the title compound, C23H23ClN2O4S, the 4-chlorophenyl ring is inclined to the pyridine ring of the isoquinoline group by 71.86 (13). In the crystal, molecules are linked by pairs of O—HO hydrogen bonds, forming inversion dimers, which stack along the b-axis direction. The methyl acetate group attached to the S atom is disordered over two sites in a 50:50 ratio, which appears to prevent close intermolecular contacts between the methyl groups.
机译:在标题化合物C23H23ClN2O4S中,4-氯苯基环相对于异喹啉基团的吡啶环倾斜71.86(13)。在晶体中,分子通过成对的O-HO氢键连接,形成反向二聚体,其沿b轴方向堆叠。附着在S原子上的乙酸甲酯基团在两个位置上以50:50的比率无序排列,这似乎防止了甲基之间的紧密分子间接触。

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