【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
【机 构】
：
College of Material Chemistry and Chemical Engineering
【基金项目】
：
the Natural Science Foundation of Zhejiang Province
论文部分内容阅读
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 P(1)with a =8.3121(8),b = 9.3885(8),c = 13.2903(12)(A),α = 106.788(2),β = 95.204(3),γ = 110.871(2)°,V=905.81(14)(A)3,Z= 2,C16H16BrClN4O3,Mr= 427.68,Dc = 1.568 g/cm3,F(000)= 432.00,μ = 2.446mm-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.
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