二丁基-4-氧代-4-苯基丁酸锡的分子间C—H…O作用构成超分子结构的合成

Structure of di-n-butyltin complex with 4-Oxo-4-phenyl-butyric acid: supramolecular structure involving intermolecular C—H…O interactions

在甲苯作为溶剂和回流条件下,4-氧代-4-苯基丁酸与二丁基氧化锡自主装成新型有机锡羧酸酯{[n-Bu2Sn(L1)2]2O}2(1)(L1=4-氧代-4-苯基丁酸),并用元素分析、1 H NMR、红外光谱和晶体结构测定等方法对其结构进行了表征.结果表明:配合物1属于三斜晶系,P1空间群;晶胞参数a=1.201 67(5)nm,b=1.210 72(5)nm,c=1.383 43(6),α=101.050 0(10)°,β=99.514 0(10)°,γ=93.569 0(10),Z=1,V=1.939 05(14)nm3,Dc=1.432g/cm3,F(000)=852,μ=1.330nm-1,R1=0.033 0,wR2=0.076 4.分子结构为对称梯形结构,4个Sn原子处于2种化学环境,分别为五和六配位,通过分子间C—H…O作用构成超分子.

The self-assembly of 4-Oxo-4-phenyl-butyric acid with di-n-butyltin oxide under reflux in toluene form a new organotin carboxylate （ n- Bu2 Sn （L1）2 ]2O } 2 （ 1 ） （ L1 = 4-Oxo-4-phenyl-butyric acid）. The complex （1） was characterized by means of elemental analysis,Ill NMR, IR and single X-ray diffraction. The crystal belong to the Triclinc system with space group PT a=1.20167（5）nm,b=1.21072（5）nm,c=1.38343（6）,α=101.0500（10）°.β=99.5140（10）°,γ=93.5690（10）,Z=1,V=1.93905（14）nm3,Dc=1.432g/cm3.F（000）=852,μ=1.330nm-1,R1=0.0330,wR2=0.0764. the compex （1） is in a centrosymmetric ladder structure mode in which the tin atoms are five or six-coordinated under two different chemical environments and is supramolecular structure by intermolecular C--H…O interactions.