锌与烟酰胺苦味酸根配合物的合成与晶体结构

烟酰胺（NA）与苦味酸锌（Zn（Pic）2）在乙醇水混合液中反应,制得氢键连接的超分子配合物Zn（NA）2·4H2O]·（Pic）2。该配合物的晶体属三斜晶系,空间群为P1,晶胞参数为a=0.7050（1）,b=0.8839（3）,c= 1.4035（3）nm,α=81.16（2）,β=81.92（2）,γ=66.55（2）°,V=0.7898（3）nm3,Z=1,Dc=1.762g/cm3,F（000）=428;μ=0.886mm-1,最终偏离因子R=0.0419,wR=0.1094。结构单元中Zn原子与两个NA和四个水分子配位,配位水又通过氢键与Pic-和相邻单元的NA结合,同时NA上的氨基又与本单元和相邻结构单元中的Pic-上硝基氧形成氢键,形成了三维网状氢键的超分子化合物。

Preparation and Crystal Structure Investigation of Zinc Picrate Niacinamide

A zinc complex Zn(NA)2(H2O)4](Pic)2 was prepared by the reaction of niacinamice and zinc picrate in ethanol water solution, and characterized by elemental analysis and IR spectroscopy. The crystal structure was determined by X-ray diffraction. The crystal crystallizes in the triclinic system, space group P1 with a = 7.050( 1), b = 8.839(3), c= 14.035(3) A, α = 81.16(2),β = 81.92(2). r =66.55(2)°, V= 789.8(3) A3, Z= 1 ,Dc = 1.762g/cm3, F(000) = 428 andμ =0.886 mm-1. The crystal structure was solved by direct methods for the final R = 0.0419 and wR = 0.1094 for 2467 observed reflections with Fo> 4σ(Fo). The crystal structure reveals that the zinc ion is trans-octahedral with two pyridyl nitrogens and two aque oxygens at the equatorial positions and two aque oxygens at the axial positions. Every Zn(NA)2(H2O)4](Pic)2 unit forms twelve hydrogen bonds (of two types: O-H…O and N-H…O) which bridge four Zn(NA)2(H2O)4](Pic)2 units. The complex forms a three-dimensional network through hydrogen bonds.