Acta Chimica Sinica ›› 1989, Vol. 47 ›› Issue (3): 209-215.     Next Articles

Original Articles

三环己基羧酸锡的分子结构和晶体结构

王如骥;王宏根;姚心侃;谢庆兰;王明德;陈立   

  1. 南开大学测试计算中心;南开大学元素有机化学研究所
  • 发布日期:1989-03-15

The crystal and molecular structures of tricyclohexyltin carboxylates

WANG RUJI;WANG HONGGEN;YAO XINKAN;XIE QINGLAN;WANG MINGDE;CHEN LI   

  • Published:1989-03-15

The crystal and mol. structures of tricyclohexyltin butyrate (I), tricyclohexyltin m-chlorobenzoate (II), and tricyclohexyltin m-bromobenzoate (III) were determine by a 3-dimensional x-ray method. Crystals of I are orthorhombic, space group P212121, with a 9.963(2), b 11.004(3), c 20.144(6) ? Z = 4; those of II are orthorhombic, space group Pnaa, with a 8.135(2), b 16.716(3), c 36.426(6) ? Z = 8; and those of III are orthorhombic, space group Pnaa, with a 8.165(1), b 16.714(3), c 36.710(4) ? Z =8. In I, the Sn atoms are 5-coordinate in a trigonal bipyramidal structure with a bridging CO group. The resulting structure is a linear polymer containing 2 different Sn-O bond lengths of 2.198(4) and 2.427(3) ? In II and III, the structures consist of discrete mols. containing 4-coordinate Sn atoms in a distorted tetrahedral configurations. The bridging CO groups are prevented from approaching the Sn atoms, probably by steric repulsion between the cyclohexyl groups and the halobenzoate.

Key words: CRYSTAL STRUCTURE, MOLECULAR STRUCTURE, X-RAY DIFFRACTION ANALYSIS, CYCLOHEXANE P, BROMOHYDROCARBON, BENZENECARBOXYLIC ACID P, STRUCTURAL ANALYSIS, ORGANOMETALLIC COMPOUNDS, BUTANOIC ACID P, TIN COMPOUND

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