Conformational analysis of (S,S)-dimethyl-diketopyridino-18-crown-6

被引:11
作者
Bocskei, Z
Keseru, GM
Menyhard, D
Huszthy, P
Bradshaw, JS
Izatt, RM
机构
[1] TECH UNIV BUDAPEST, DEPT CHEM INFORMAT TECHNOL, H-1521 BUDAPEST, HUNGARY
[2] EOTVOS LORAND UNIV, DEPT THEORET CHEM, H-1518 BUDAPEST, HUNGARY
[3] TECH UNIV BUDAPEST, DEPT ORGAN CHEM, H-1521 BUDAPEST, HUNGARY
[4] BRIGHAM YOUNG UNIV, DEPT CHEM, PROVO, UT 84602 USA
关键词
D O I
10.1107/S0108270195011346
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The crystal structure of (S,S)-dimethyldiketopyridino-18-crown-6, (I), C17H23NO7, an effective host for chiral organic ammonium salts is described. A minimum-energy conformation was obtained by a pseudo-Monte-Carlo conformational search in the gas phase and was compared with the crystal structure. Structural changes in chiral recognition processes are also discussed.
引用
收藏
页码:463 / 466
页数:4
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