论文部分内容阅读
（Ｒ）－乙基－２－吡啶亚砜与（４Ｒ，５Ｒ）－二（羟基－二苯基－甲基）－２，２－二甲基－１，３－二氧戊环（ＴＡＤ－ＤＯＬ）可以形成物质的量比为１∶１的手性包结晶体，Ｘ射线衍射分析确定该晶体属单钭晶系，Ｐ２１空间群，ａ＝０．９７０１（２）ｎｍ，ｂ＝０．９９５３（２）ｎｍ，ｃ＝１．７３９２（２）ｎｍ；β＝９２．０７９°（１４），Ｖ＝１．６７８１（５）ｎｍ３，Ｚ＝２，Ｄｃ＝１．２３０ｇ／ｃｍ３，分子式Ｃ３８Ｈ３９ＮＯ５Ｓ，Ｍｒ＝６２１．７６，最终偏离因子Ｒ＝０．０３５１，ＲＷ２＝０．０７７２，Ｆｌａｃｋ值为０．１（２）．结构分析表明，主客体存在分子间氢键．光学纯的ＴＡＤＤＯＬ与消旋的乙基吡啶亚砜（１）作用时，ＴＡＤＤＯＬ对１具有很好的手性识别能力，选择性地与１的一个对映体形成氢键，长成晶体．参照晶体结构确定了１的两个对映体的绝对构型
(R) -ethyl-2-pyridylsulfoxide and (4R, 5R) -di (hydroxy- diphenyl- methyl) -2,2- dimethyl- 1, 3- dioxolane (TAD- DOL) could form a chiral inclusion crystal with the mass ratio of 1: 1. X-ray diffraction analysis confirmed that the crystal belongs to the monoclinic system P21 space group with a = 0.9701 (2) nm and b = 0.9953 (2) nm, c = 1.7392 (2) nm; β = 92.079 ° (14), V = 1.6781 (5) nm3, Z = 2 and Dc = 1.230g / cm3. Formula C38H39NO5S, Mr = 621.76, final deviation factor R = 0.0351, RW2 = 0.0772, Flack value 0.1 (2). Structural analysis shows that there exist intermolecular hydrogen bonds between host and guest. When optically pure TADDOL is reacted with racemic ethylpyridyl sulfoxide (1), TADDOL has a very good chiral recognition ability for 1, selectively forming hydrogen bonds with one of the 1 enantiomers and forming crystals. The absolute configuration of the two enantiomers of 1 was determined with reference to the crystal structure