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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains
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A three-dimensional cadmium(II) coordination polymer with unequal homochiral double-stranded concentric helical chains

机译：具有不相等的同手性双链同心螺旋链的三维镉（II）配位聚合物

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摘要

A homochiral helical three-dimensional coordination polymer, poly[[(μ2-acetato-κ3O,O′:O)(hydroxido-κO)(μ4-5-nicotinamido-1H-1,2,3,4-tetrazol-1-ido-κ5N1,O:N2:N4:N5)(μ3-5-nicotinamido-1H-1,2,3,4-tetrazol-1-ido-κ4N1,O:N2:N4:N5)dicadmium(II)] 0.75-hydrate], {[Cd2(C7H5N6O)2(CH3COO)(OH)]·0.75H2O}n, was synthesized by the reaction of cadmium acetate, N-(1H-tetrazol-5-yl)isonicotinamide (H-NTIA), ethanol and H2O under hydrothermal conditions. The asymmetric unit contains two crystallographically independent CdII cations, two deprotonated 5-nicotinamido-1H-1,2,3,4-tetrazol-1-ide (NTIA?) ligands, one acetate anion, one hydroxide anion and three independent partially occupied water sites. The two CdII cations, with six-coordinated octahedral and seven-coordinated pentagonal bipyramidal geometries are located on general sites. The tetrazole group of one symmetry-independent NTIA? ligand links one of the independent CdII cations into 61 helical chains, while the other NTIA? ligand links the other independent CdII cations into similar but unequal 61 helical chains. These chains, with a pitch of 24.937?(5)??, intertwine into a double-stranded helix. Each of the double-stranded 61 helices is further connected to six adjacent helical chains through an acetate μ2-O atom and the tetrazole group of the NTIA? ligand into a three-dimensional framework. The helical channel is occupied by the isonicotinamide groups of NTIA? ligands and two helices are connected to each other through the pyridine N and carbonyl O atoms of isonicotinamide groups. In addition, N—H...O and O—H...N hydrogen bonds exist in the complex.
机译：均手性螺旋三维配位聚合物，聚[[（（μ2-acetato-κ3O，O'：O）（hydroxido-κO）（μ4-5-nicotinamido-1H-1,2,3,4-tetrazol-1- ido-κ5N1，O：N2：N4：N5）（μ3-5-烟酰胺基-1H-1,2,3,4-四唑-1-ido-κ4N1，O：N2：N4：N5）二镉（II）] 0.75水合物]，{[Cd2（C7H5N6O）2（CH3COO）（OH）]·0.75H2O} n是由乙酸镉与N-（1H-四唑-5-基）异烟酰胺（H-NTIA）反应合成的），水热条件下的乙醇和H2O。不对称单元包含两个晶体学上独立的CdII阳离子，两个去质子化的5-烟酰胺基1H-1,2,3,4-四唑-1（NTIA？）配体，一个乙酸根阴离子，一个氢氧根阴离子和三个独立的部分被占据的水网站。六配位八面体和七配位五边形双锥体几何结构的两个CdII阳离子位于一般位置上。一个对称非依赖性NTIA的四唑基？配体将一个独立的CdII阳离子连接到61个螺旋链中，而另一个NTIA？配体将其他独立的CdII阳离子连接到相似但不相等的61个螺旋链中。这些链节距为24.937？（5）??，缠绕成双链螺旋。双链的61个螺旋中的每一个进一步通过乙酸根μ2 -O原子和NTIA 2的四唑基团与六个相邻的螺旋链连接。配体变成三维框架。螺旋通道被NTIA？的异烟酰胺基占据。配体和两个螺旋通过异烟酰胺基团的吡啶N和羰基O原子相互连接。另外，在该配合物中存在NH-O和OH-N氢键。

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