首页> 外文期刊>IUCrData >Di-aqua-bis--[3-(4-methyl-phen-yl)-5-(pyridin-2-yl-κN)-1H-1,2,4-triazolato-κN1]cadmium trihydrate
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Di-aqua-bis--[3-(4-methyl-phen-yl)-5-(pyridin-2-yl-κN)-1H-1,2,4-triazolato-κN1]cadmium trihydrate

机译:二水双-[3-(4-甲基-苯基)-5-(吡啶-2-基-κN)-1H-1,2,4-三唑并-κN1]三水合镉

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摘要

In the title compound, [Cd(C14H11N4)2(H2O)2]·3H2O, the CdII?cation is chelated by two 3-(4-methyl-phen-yl)-5-(pyridin-2-yl)-1H-1,2,4-triazolate anions and coordinated by two water mol-ecules in a distorted N4O2?octa-hedral geometry. Within the organic ligands, the methyl-phenyl rings are twisted with respect to the mean planes of chelating rings by 18.31?(16) and 14.89?(15)°. In the crystal, extensive O—H?O and O—H?N hydrogen bonds and weak C—H?O inter-actions link the mol-ecules into a three-dimensional supra-molecular architecture.
机译:在标题化合物[Cd(C14H11N4)2(H2O)2]·3H2O中,CdII′阳离子被两个3-(4-甲基-苯基-基)-5-(吡啶-2-基)-1H螯合-1,2,4-三唑阴离子由扭曲的N4O2?八面体几何结构中的两个水分子共同配位。在有机配体中,甲基-苯环相对于螯合环的平均平面扭曲了18.31°(16)和14.89°(15)°。在晶体中,广泛的OH-OH和OH-N氢键和弱CH-O相互作用将分子-细胞连接成三维超分子结构。

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