【摘要】 以邻氨基苯甲酸、多硒化钠和多硫化钠等为原料,通过重氮化反应分别合成了2,2-二硒化双苯甲酸(1)和2,2-二硫化双苯甲酸(2),在DMF溶液中获得适于单晶X射线衍射的晶体,结构通过X射线衍射分析确定.化合物1属单斜晶系,空间群为C1/c.a=0.822 2(4)nm,b=1.322 9(6)nm,c=2.184 1(12)nm,β=96.475(3)°,Mr=546.33,V=2.360 7(2)nm3,Z=4,Dc=1.537g/cm3,μ=3.168 mm-1,F(000)=1 096.最终偏离因子R1=0.036 5,wR2=0.085 1,S=1.032.化合物2属三斜晶系,空间群为p1.a=0.756 3(14)nm,b=0.772 9(14)nm,c=2.006 1(4)nm,α=83.408(5)°,β=84.961(5)°,γ=83.056(5)°,Mr=452.53,V=1.153 1(4)nm3,Z=2,Dc=1.303g/cm3,μ=0.268mm-1,F(000)=476.最终偏离因子R1=0.054 3,wR2=0.136 1,S=1.074.化合物1和2中均存在分子内和分子间氢键以及C—H…π为非常规的氢键.更多还原

【Abstract】 The title compounds of 2,2-diselenodibenzoic acid(1)and 2,2-dithiodibenzoic acid(2)were synthesized by the reaction of o-aminobenzoic acid diazotization with Na2Se2and Na2S2,respectively.Two crystals suitable for X-ray diffraction analysis were obtained by recrystallization of the precipitate from DMF.The compound 1 crystal is monoclinic,space group C1/c with the parameters:a=0.822 2(4)nm,b=1.322 9(6)nm,c=2.184 1(12)nm,β=96.475(3)°,Mr=546.33,V=2.360 7(2)nm3,Z=4,Dc=1.537g/cm3,μ=3.168mm-1,F(000)=1 096,R1=0.036 5,wR2=0.085 1,S=1.032.The compound2 crystal is triclinic,space group p1with the parameters:a=0.756 3(14)nm,b=0.772 9(14)nm,c=2.006 1(4)nm,α=83.408(5)°,β=84.961(5)°,γ=83.056(5)°,Mr=452.53,V=1.153 1(4)nm3,Z=2,Dc=1.303g/cm3,μ=0.268mm-1,F(000)=476,R1=0.054 3,wR2=0.136 1,S=1.074.In the compound 1 and 2 crystal structure,there are intramolecular hydrogen bonds and intermolecular hydrogen bonds,and C—H…πnonconventional hydrogen bonds,respectively.更多还原