Granifo Juan, Gaviño Rubén, Freire Eleonora, Baggio Ricardo
Departamento de Ciencias Químicas y Recursos Naturales, Facultad de Ingeniería, Ciencias y Administración, Universidad de La Frontera, Casilla 54-D, Temuco, Chile.
Acta Crystallogr C. 2013 Aug;69(Pt 8):822-5. doi: 10.1107/S0108270113017356. Epub 2013 Jul 9.
The monomeric title compound, aqua(nitrato-κ²O,O')(nitrato-κO){4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine-κ³N,N',N''}cadmium(II) dihydrate, [Cd(NO₃)₂(C₂₅H₁₇N₅)(H₂O)]·2H₂O, consists of a seven-coordinated CdII centre bound to the novel 4'-[4-(pyrimidin-5-yl)phenyl]-2,2':6',2''-terpyridine (L1) ligand (behaving as a tridentate chelate), two nitrate anions (as chelating-bidentate and monodentate ligands) and a water O atom. Both chelating groups define the base of a slightly deformed pentagonal bipyramid, while the monocoordinated ligands occupy the apices. The four heterocycles in L1 form a planar skeleton, while the central benzene ring is rotated from this planar geometry by more than 30°, probably because of packing effects. Noncovalent interactions lead to the formation of columnar arrays parallel to [100].
单核标题化合物，水合（硝酸根-κ²O,O'）（硝酸根-κO）{4'-[4-(嘧啶-5-基)苯基]-2,2':6',2''-三联吡啶-κ³N,N',N''}镉(II)二水合物，[Cd(NO₃)₂(C₂₅H₁₇N₅)(H₂O)]·2H₂O，由一个七配位的CdII中心组成，该中心与新型4'-[4-(嘧啶-5-基)苯基]-2,2':6',2''-三联吡啶（L1）配体（作为三齿螯合物）、两个硝酸根阴离子（作为螯合双齿和单齿配体）以及一个水分子的O原子相连。两个螯合基团确定了一个稍有变形的五角双锥的底面，而单配位配体占据顶点。L1中的四个杂环形成一个平面骨架，而中心苯环相对于该平面几何结构旋转了超过30°，这可能是由于堆积效应。非共价相互作用导致形成平行于[100]的柱状阵列。
