N-正丁基吡啶-2,3-二苯甲酰酒石酸盐的合成与晶体结构

Synthesis and crystal structure of mono(1-butylpyridinium)2,3-bis(benzoyloxy)-3-carboxypropanoate

化合物C45H43NO17的晶体,在室温条件下,由[bpy][BF4]和L-(-)-二苯甲酰酒石酸合成并经95%乙醇重结晶而得.其结构通过元素分析、IR和1HNMR进行了表征,用X射线单晶衍射法测定了该化合物的晶体结构.结果表明,晶体属于单斜晶系,P-2(1)空间群,a=0.798 8(6)nm,b=2.748 2(18)nm,c=1.061 0(8)nm,β=101.723(10)°,Mr=869.83,V=2.280(3)nm3,Dc=1.267 Mg/m3,Z=2,μ(Mo Kα)=0.098 mm-1,F(000)=912.晶体结构用直接法解出,经全矩阵最小二乘法修正,最终偏离因子R=0.095 0,Rw=0.2582.

The title compound（C45H43NO17） was obtained via the reaction of 2,3-bis（benzoyloxy）succinic acid and at room temperature and recrystallized with EtOH（95%）.Its structure was characterized by elemental analysis,IR,1HNMR and X-ray single crystal diffraction.The crystal belongs to monoclinic system,P-2（1） space group with a=0.798 8（6） nm,b=2.748 2（18） nm,c=1.061 0（8） nm,β=101.723（10）°,Mr=869.83,V=2.280（3） nm3,Dc=1.267 Mg/m3,Z=2,μ（Mo Kα）=0.098 mm-1,F（000）=912.The structure was solved by direct methods and refined by full-matrix least squares method to the final R=0.095 0,Rw=0.258 2.