首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >29-Dimethyl-110-phenanthrolin-1-ium (6-carb­oxy-4-hy­droxy­pyridine-2-carboxyl­ato-κ3 O 2NO 6)(4-hy­droxy­pyridine-26-dicarboxyl­ato-κ3 O 2NO 6)zincate(II) 2.35-hydrate: a proton-transfer compound
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29-Dimethyl-110-phenanthrolin-1-ium (6-carb­oxy-4-hy­droxy­pyridine-2-carboxyl­ato-κ3 O 2NO 6)(4-hy­droxy­pyridine-26-dicarboxyl­ato-κ3 O 2NO 6)zincate(II) 2.35-hydrate: a proton-transfer compound

机译:29-二甲基-110-菲咯啉-1-鎓(6-咔­氧基-4-羟基­吡啶-2-羧基­-κ3 Ø 2NO 6)(4-羟基吡啶-26-二羧基­-κ3 Ø 2NO 6)zincate(II)2.35-水合物:质子转移化合物

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摘要

In the title compound, (C14H13N2)[Zn(C7H3NO5)(C7H4NO5)]·2.35H2O, the ZnII atom is coordinated by two N atoms and four O atoms from the carboxyl­ate groups of the 4-hy­droxy­pyridine-2,6-dicarboxyl­ate and 6-carb­oxy-4-hy­droxy­pyridine-2-carboxyl­ate ligands, forming a distored octa­hedral geometry. In the anion, the two pyridine rings are inclined to one another by 87.75 (13)°. Two types of robust O—H⋯O hydrogen bond synthons, viz. R 2 2(16) and R 6 6(42), link the anions to form a two-dimensional network parallel to the bc plane. Furthermore, O—H⋯O, N—H⋯O, N—H⋯N and weak C—H⋯O hydrogen bonds connect the two dimensional networks, forming a three-dimensional structure. In the crystal, there are also C—H⋯π and π–π inter­actions [centroid–centroid distances of 3.5554 (18) and 3.7681 (18) Å], and C=O⋯π inter­actions [O⋯centroid distance = 3.117 (2) Å] present. One of the three crystal water molecules shows an occupancy of 0.35.
机译:在标题化合物(C14H13N2)[Zn(C7H3NO5)(C7H4NO5)]·2.35H2O中,Zn II 原子由两个N原子和四个O原子组成,它们分别来自4- -羟基吡啶-2,6-二羧酸酯和6-羧基-4-羟基吡啶-2-羧酸酯配体,形成扭曲的八面体几何形状。在阴离子中,两个吡啶环彼此倾斜87.75(13)°。两种类型的坚固的O-H = O氢键合成子,即。 R 2 2 (16)和R 6 6 (42)将阴离子连接起来,形成平行于bc平面的二维网络。此外,OH-O,NH-O,NH-N和弱CH-H氢键连接二维网络,形成三维结构。在晶体中,还存在C–H⋯π和π–π相互作用[质心-质心距离3.5554(18)和3.7681(18)Å],以及C = O⋯π相互作用[O⋯质心距离= 3.117( 2)Å]存在。三个晶体水分子之一显示的占有率为0.35。

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