1,3,2-氧氮磷杂环戊烷衍生物晶体结构研究  

Crystal Structures of 1,3,2-Oxazaphospholidine Derivatives

作　　者：刘小兰[1] 孙命[1] 缪方明[1] 杨华铮[2] 邵久书[2] 王惠林[2] 陈茹玉[2] 

机构地区：[1]天津师范大学化学系,天津300074 [2]南开大学元素有机化学研究所

出　　处：《高等学校化学学报》1993年第4期536-539,共4页Chemical Journal of Chinese Universities

基　　金：国家自然科学基金

摘　　要：用X射线衍射方法测定了两个1,3,2-氧氮磷杂环戊烷衍生物的晶体结构:2-二乙氨基-3-(4′-甲基苯甲酰基)-2-硫代-1,3,2-氧氮磷杂环戊烷,C_(14)H_(21)N_2O_2PS(1),空间群为P_(bco),α=0.9057(5)nm,b=1.3974(6)nm,c=2.5130(7)nm,Z=8,R=0.051;2-二乙氨基-3-(2′,4′-二氯苯甲酰基)-2-硫代-1,3,2-氧氮磷杂环戊烷,C_(13)H_(17)N_2O_2PSCl_2(2),空间群P2_1/c,α=0.7375(1)nm,b=1.4370(3)nm,c=1.6015(7)nm,β=93.70(2)°,Z=4,R=0.054。结构均由直接法解出。两个化合物中氧氮磷杂五元环均为半椅式构象。其中P—N键长环内分别为0.1712(2)nm和0.1723(0)nn;环外为0.1620(3)nm和0.1620(0)nm,由于成环作用所致环内P—N键长大于环外的。The crystal and molecular structures of 2-diethylamino-3-(4'-methylbenzoyl)-2-thione-l, 3, 2-oxazaphospholidine (1) and 2-diethylamino- 3- ( 2', 4' -dichlorobenzoyl) - 2-thione-1,3, 2-oxaza-phospholidine(2) were determined by X-ray diffraction method. The diffraction data were collected on a CAD4 single crystal diffractometer. The crystallographic data are as follows; (1) C14H21N2O2PS, orthorhombic, space group Pbca α=0. 9057(5) nm, 6=1.3974(6) nm, c=2. 5130(7) nm, Z = 8, V = 3. 1806 nm3, R=0. 051. (2) C13H17N2O2PSCl2, monoclinic, space group P21/c, α=0. 7375(1) nm, 6=1. 4370(3) nm, c=l. 6015(7) nm, β=93. 70(2)°/, Z=4, V=1. 6895 nm3, R=0. 054. The structures of the two compounds were solved by the direct method. The five-membered oxaza-phospholidine ring has a half chair conformation in both of the molecules.

关 键 词：晶体结构 1 3 2-氧氮磷杂环戊烷 杀虫剂 

分 类 号：O626[理学—有机化学]