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首页> 外文期刊>Journal of chemical crystallography >Synthesis and Crystal Structure of a Novel Five-Coordinate Complex from Zinc(II) and 1,3-Bis[2-(2-Hydroxybenzylideneamino)phenoxy]propan-2-ol Ligand
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Synthesis and Crystal Structure of a Novel Five-Coordinate Complex from Zinc(II) and 1,3-Bis[2-(2-Hydroxybenzylideneamino)phenoxy]propan-2-ol Ligand

机译：锌（II）和1,3-双[2-（2-羟基苄叉亚氨基）苯氧基]丙-2-醇配体的新型五配位配合物的合成和晶体结构

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摘要

A novel five-coordinate Zn(II) complex of 1,3-bis[2-(2-hydroxybenzylideneamino)phenoxy]propan-2-ol (BHBAPP), namely [Zn-2(BHBAPP)(2)](Pic)(2) center dot A C2H5OH (Pic = picrate) has been synthesized and characterized by elemental analyses, IR spectra and X-ray single-crystal diffraction. The complex crystallizes in the triclinic space group P-1 with cell constants a = 9.8145(9), b = 13.2398(12), c = 14.5058(13) ; alpha = 86.4560(10), beta = 82.7260(10), gamma = 73.0570(10)A degrees, Mr = 1596.08, V = 1,788.0(3) (3), Z = 1, Dc = 1.482 g/cm(3), F(000) = 822, mu = 0.760 mm(-1). The structure was solved by direct methods and refined to R = 0.0390 (wR (2) = 0.0996). Examination of the structure shows the Zn atoms are coordinated to four oxygen atoms and one nitrogen atom from BHBAPP ligand to form a distorted trigonal bipyramidal geometry. Further, in the crystal structure [Zn(BHBAPP)](+1) cations and picrate anions are linked together via hydrogen bonding interactions tightly forming a three-dimensional supramolecular. It must be pointed out that the picrate anions play a special role in increasing the dimensionality of the supramolecular architecture. The novel five-coordinate Zn(II) complex of formula [Zn-2(BHBAPP)(2)](Pic)(2)center dot C2H5OH (BHBAPP = 1,3-bis[2-(2-hydroxybenzylideneamino)phenoxy]propan-2-ol; Pic = picrate) was synthesized and its crystal structure determined. Single crystal X-ray diffraction analysis reveals that the Zn atom shows penta-coordination in a distorted trigonal bipyramidal geometry, and, the flexible BHBAPP ligand acts as a pentadentate ligand and adopts a fold configuration to wrap around the Zn(II) ion.
机译：1,3-双[2-（2-羟基苄叉亚氨基）苯氧基]丙-2-醇（BHBAPP）的新型五配位Zn（II）络合物，即[Zn-2（BHBAPP）（2）]（Pic） （2）中心点合成了C2H5OH（Pic =苦味酸盐），并通过元素分析，IR光谱和X射线单晶衍射进行了表征。该配合物在三斜晶空间群P-1中结晶，晶格常数为a = 9.8145（9），b = 13.2398（12），c = 14.5058（13）; alpha = 86.4560（10），beta = 82.7260（10），伽玛= 73.0570（10）A度，Mr = 1596.08，V = 1,788.0（3）（3），Z = 1，Dc = 1.482 g / cm（3） ，F（000）＝ 822，μ＝ 0.760mm（-1）。通过直接方法解析结构，并将其精炼为R = 0.0390（wR（2）= 0.0996）。结构检查表明，Zn原子与BHBAPP配体中的四个氧原子和一个氮原子配位，形成扭曲的三角双锥体几何形状。此外，在晶体结构中，[Zn（BHBAPP）]（+ 1）阳离子和苦味酸根阴离子通过氢键相互作用紧密相连，形成三维超分子。必须指出的是，苦味酸根阴离子在增加超分子结构的尺寸方面起着特殊的作用。新型[式[Zn-2（BHBAPP）（2）] [Pic]（2）中心点C2H5OH（BHBAPP = 1,3-双[2-（2-羟基苄叉亚氨基）苯氧基]的五配位Zn（II）配合物丙-2-醇; Pic =苦味精）合成并确定其晶体结构。单晶X射线衍射分析表明，Zn原子在扭曲的三角双锥几何形状中显示出五配位，并且柔性BHBAPP配体充当五齿配体并采用折叠构型包裹Zn（II）离子。

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