首页> 外文期刊>Journal of Chemical Crystallography >Crystal Structure of Bis(5,17-dihydroxy-3,7,15,19,25,26-hexa-azatricyclo(19.3.1.19,13)hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene-μ1,2-perchlorato barium) diperchlorate: a Schiff-Base Macrocyclic Complex Derived from 2,6-Diformylpyridine and 1,3-Diaminopropan-2-ol
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Crystal Structure of Bis(5,17-dihydroxy-3,7,15,19,25,26-hexa-azatricyclo(19.3.1.19,13)hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene-μ1,2-perchlorato barium) diperchlorate: a Schiff-Base Macrocyclic Complex Derived from 2,6-Diformylpyridine and 1,3-Diaminopropan-2-ol

机译:Bis(5,17-dihydroxy-3,7,15,19,25,26-hexa-azatritricyclo(19.3.1.19,13)hexacosa-1(25),2,7,9(26),10的晶体结构(12,14,19,21,23-癸烯-μ 1,2 -高氯酸钡)双氯酸盐:一种由2,6-二甲酰基吡啶和1,3-二氨基丙烷-形成的席夫碱大环配合物2-醇

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摘要

Abstract The title complex, [Ba(L1)(μ1,2-ClO4)]2(ClO4)2 (where L1 = 5,17-dihydroxy-3,7,15,19,25,26-hexa-azatricyclo(19.3.1.19,13)hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene), was synthesised by a Schiff base condensation of 2,6-diformylpyridine with 1,3-diaminopropan-2-ol in dry methanol using barium(II) as template ion. The complex was characterised by IR, 1H NMR, mass spectrometry, elemental analysis and X-ray crystallography. The structure was solved in the triclinic space group P [`text1] {bar{text{1}}} with a = 8.4587(9), b = 8.7360(9), c = 17.7722(19) Å, α = 79.786(2), β = 88.780(2), γ = 83.048(2)°, V = 1283.0(2) Å3, Z = 1 and R1 = 0.0433. The macrocycle is folded and the complex dimerises via perchlorate anions which bridge the barium ions, and this interaction is supported by hydrogen bonding between neighbouring alcohol groups. The dimers are further linked into chains via intermolecular O–H···OClO3 hydrogen bonds.
机译:摘要标题复合物[Ba(L1)(μ 1,2 -ClO 4 )] 2 (ClO 4 2 (其中L1 = 5,17-dihydroxy-3,7,15,19,25,26-hexa-azatricyclo(19.3.1.19,13)hexacosa-1(25), 2,7,9(26),10,12,14,19,21,23-癸烯)是通过2,6-二甲酰基吡啶与1,3-二氨基丙烷-2-醇在干燥甲醇中的席夫碱缩合反应合成的使用钡(II)作为模板离子通过IR,1 H NMR,质谱,元素分析和X射线晶体学对其进行表征。在三边形空间群P [`text1] {bar {text {1}}}中求解了该结构,其中a = 8.4587(9),b = 8.7360(9),c = 17.7722(19)Å,α= 79.786( 2),β= 88.780(2),γ= 83.048(2)°,V = 1283.0(2)Å 3 ,Z = 1,R1 = 0.0433。大环折叠并通过桥接钡离子的高氯酸根阴离子使二聚体二聚,并且这种相互作用得到相邻醇基团之间氢键的支持。二聚体通过分子间OH–·OClO 3 氢键进一步连接成链。

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