A 2 - D coordination polymer, [Ca ( HDHP)2 ( H2O) ] n( H2 DHP =4,6- Dihydroxypyrimidine ) has been synthesized and characterized by elemental analysis, IR, TG, PL, powder and X -ray single crystal diffraction. The title complex crystallizes in monoclinic system with space group P21/c, a=0.8169(3) nm,b =1. 756 1(4) nm,c =0.762 3(3) nm,β =91. 25(3) °, and V= 1.093 3(4) nm3, Z=A, R=0. 0415. EachCa(Ⅱ) ion is seven-coordinated by five oxygen atoms and one nitrogen atom from four different HDHP- monoanions, as well as one coordinated water molecule, thus defining a pentagonal bipyramid geometry. Adjacent Ca(Ⅱ) ions are bridged by the HDHP~ monoanionsto generate 2 - D layer motif, which are further linked by hydrogen-bonding and π -π stacking interactions into 3-D supramolecular networks. Moreover, the complex exhibits strong blue emission (459 nm) in solid state at room temperature. CCDC:859946.%合成了一个二维层状钙配位聚合物[ Ca(HDHP)2(H2O)]n(H2 DHP=4,6-二羟基嘧啶),并且进行了元素分析、热重、红外、荧光、单晶及粉末X射线衍射等表征.标题配合物属于单斜晶系,P21/c空间群,a=0.816 9(3) nm,b=1.756 1(4) nm,c=0.762 3(3) nm,β=91.25(3)°,V=1.093 3 (4) nm3,Z=4,R=0.0415.每个Ca(Ⅱ)离子分别与四个不同HDHP -的1个氮原子、5个羟基氧原子及1个水分子配位,形成了七配位的五角双锥构型.配体HDHP -桥联相邻的Ca(Ⅱ)离子形成二维层状结构,层与层之间又进一步通过分子间氢键和π -π堆积作用形成三维超分子网络结构,同时该配合物在室温下于459 nm处表现出较强的蓝色荧光发射峰.
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