摘要
The title compounds 4a～c were synthesized and characterized by IR,NMR and MS.The crystal structure of C16H13ClN4O2·HBr·H2O（I）,the quaternary ammonium salt of 4c,was determined by X-ray diffraction analysis.I crystallizes in triclinic,space group P1 with a = 8.3121（8）,b = 9.3885（8）,c = 13.2903（12）,α = 106.788（2）,β = 95.204（3）,γ = 110.871（2）o,V = 905.81（14）3,Z = 2,C16H16BrClN4O3,Mr = 427.68,Dc = 1.568 g/cm3,F（000） = 432.00,μ = 2.446 mm-1,R = 0.0496 and wR = 0.127.X-ray analysis reveals that C（15） in the BrCH2COOH molecule binds to the N（1） of pyrimidine ring to form the quaternary ammonium salt.Two adjacent I molecules are connected by hydrogen bonds through carboxylate oxygen,water molecule and hydrobromic acid.
The title compounds 4a～c were synthesized and characterized by IR,NMR and MS.The crystal structure of C16H13ClN4O2·HBr·H2O（I）,the quaternary ammonium salt of 4c,was determined by X-ray diffraction analysis.I crystallizes in triclinic,space group P1 with a = 8.3121（8）,b = 9.3885（8）,c = 13.2903（12）,α = 106.788（2）,β = 95.204（3）,γ = 110.871（2）o,V = 905.81（14）3,Z = 2,C16H16BrClN4O3,Mr = 427.68,Dc = 1.568 g/cm3,F（000） = 432.00,μ = 2.446 mm-1,R = 0.0496 and wR = 0.127.X-ray analysis reveals that C（15） in the BrCH2COOH molecule binds to the N（1） of pyrimidine ring to form the quaternary ammonium salt.Two adjacent I molecules are connected by hydrogen bonds through carboxylate oxygen,water molecule and hydrobromic acid.
基金
supported by the Natural Science Foundation of Zhejiang Province (No. Y4090056)
