摘要
用单晶X射线衍射技术测定了三个三环已基羧酸锡化合物——三环己基丁酸锡(1),三环己基-间氯代苯甲酸锡(2),三环己基-间溴代苯甲酸锡(3)的分子和晶体结构。三种化合物均属正交晶系,空间群分别为:P2_12_12_1(1),Pnaa(2),Pnaa(3)。1的晶胞参数为:a=9.963(2),b=11.004(3),c=20.144(6)A,Z=4。2的晶胞参数为:a=8.135(2),b=16.716(3),c=36.426(6)A,Z=8。3的晶胞参数为:a=8.165(1),b=16.714(3),c=36.710(4)A,Z=8。在1的晶体中,锡原子呈五配位的三角双锥构型。桥联的羧基使其结构成为含有两种不同Sn—O键(2.198(4)和2.427(3)A)的线型聚合物。2和3的晶体则是由孤立的分子所组成。在每个分子中,四配位的锡原子呈畸变的四面体构型。羧基不能象在化合物1中那样在锡原子之间成桥,可能主要是由于环己基与卤代苯甲酸根之间的空间位阻效应所致。
The crystal and molecular structures of tricyclohexyltin butyrate (1),
tricyclohexyltin m-chlorobenzoate (2), and tricyclohexyltin m-bromobenzoate (3)have
been determined by three-dimensional X-ray method. Crystals of 1 are orthorhombic,
space group P2_12_12_1, with a=9.963(2), b=11.004(3), c=20.144(6)A, Z=4, those of 2t
are orthorhombic, space group Pnaa, with a=8.135 (2), b=16.716 (3), c=36.426 (6)A,
Z=8, those of 3 are orthorhombic, space group Pnaa, with a=8.165 (1), b=16.714 (3),
c=36.710(4)A, Z=8. In the crystals of 1, the tin atoms rendered five-coordinate in a
trigonal bipyramidal structure by bridging carboxyl group. The resulting structure
is a linear polymer containing two different Sn--O bond lengths of 2.198(4) and 2.427
(3) A. In the crstals of 2 and 3, the structures consist of discrete molecules containing
four-coordinate tin atoms in a distorted tetrahedral configurations. The bridging
carboxyl groups are prevented from approaching the tin atoms probably by steric
hepulsion between the cyclohexyl groups and the halobenzoate.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1989年第3期209-215,共7页
Acta Chimica Sinica
