【摘要】 Ca(OH)2与柳氮磺胺吡啶(H2-Sulf)反应生成化合物[Ca(H-Sulf)(H2O)6](H-Sulf).3H2O。单晶X-射线衍射结构分析表明,标题化合物的化学式为C36H44CaN8O19S2,Mr=996.99,属三斜晶系,P-1空间群,晶胞参数:a=1.157 86(11)nm,b=1.502 24(15)nm,c=1.539 53(15)nm,α=113.129(2)°,β=109.302(2)°,γ=92.477(2)°,V=2.2775(4)nm3,Z=2,Dc=1.454 Mg/m3,R1=0.142,wR2=0.297(I>2σ(I)),S=1.027。标题化合物为离子型化合物,中心Ca(Ⅱ)采用七配位的变形加帽八面体几何构型,柳氮磺胺吡啶的羧基采用单齿配位方式与Ca(Ⅱ)形成配位键,羟基和吡啶N均未参与配位。在晶胞堆积中,化合物通过复杂分子内和分子间氢键形成三维的超分子结构。更多还原

【Abstract】 [Ca(H-Sulf)(H2O)6](H-Sulf)·3H2O was synthesized through the reaction of sulfasalazine with Ca(OH)2,and characterized by elemental analysis,IR and the single crystal X-ray diffraction analysis.C36H44CaN8O19S2,Mr=996.99,triclinic,P-1,a=1.157 86(11) nm,b=1.502 24(15) nm,c=1.539 53(15) nm,α=113.129(2)°,β=109.302(2)°,γ=92.477(2)°,V=2.277 5(4) nm3,Z=2,Dc=1.454 Mg/m3,R1=0.142,wR2=0.297(I>2σ(I)),S=1.027.Title compound is ionic complex.The central Ca(Ⅱ) ion adopts distorted seven-coordinated capped octahedral geometry.The carboxylate group of H-Sulf is monodentate coordinated to Ca(Ⅱ),but N atom of pyridine and hydroxyl group do not participate in the coordination.In addition,a lot of intramolecular and intermolecular hydrogen bonding interactions weave the title compound into 3-D supramolecular structure.更多还原