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水合{4,4',6,6'-四氯-2,2'-[(2,2-二甲基丙烷-1,3-二亚基)双(亚甲基腈)]二酚根合}锌

Aqua{4,4',6,6'-tetrachloro-2,2'-[(2,2-dimethylpropane-1,3-diyl)bis(nitrilomethanylylidene)]diphenolato}zinc.

作者信息

Kargar Hadi, Kia Reza, Abbasian Saeideh, Tahir Muhammad Nawaz

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m936-7. doi: 10.1107/S1600536812025986. Epub 2012 Jun 16.

DOI:10.1107/S1600536812025986
PMID:22807766
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393198/
Abstract

The asymmetric unit of the title compound, [Zn(C(19)H(16)Cl(4)N(2)O(2))(H(2)O)], comprises two crystallographically independent mol-ecules. The geometry around the Zn(II) atoms is distorted trigonal-bipyramidal, supported by the N(2)O(2) donor atoms of the tetradentate Schiff base and a coordinating water mol-ecule. The dihedral angles between the benzene rings in the two mol-ecules are 34.10 (15) Å and 30.61 (15) Å. In the crystal, neighbouring independent mol-ecules are linked by pairs of O-H⋯O hydrogen bonds, forming dimers with R(2) (2)(6) ring motifs, and by O-H⋯Cl hydrogen bonds. There are short Cl⋯Cl [3.4728 (16), 3.4863 (16), and 3.388 (1) Å] contacts present, and mol-ecules are also linked by C-H⋯O and π-π [centroid-centroid distance = 3.671 (2) Å] inter-actions.

摘要

标题化合物[Zn(C₁₉H₁₆Cl₄N₂O₂)(H₂O)]的不对称单元包含两个晶体学独立的分子。Zn(II)原子周围的几何构型为扭曲的三角双锥,由四齿席夫碱的N₂O₂供体原子和一个配位水分子支撑。两个分子中苯环之间的二面角分别为34.10 (15) Å和30.61 (15) Å。在晶体中,相邻的独立分子通过O—H⋯O氢键对相连,形成具有R₂²(6)环模式的二聚体,并通过O—H⋯Cl氢键相连。存在短的Cl⋯Cl [3.4728 (16)、3.4863 (16)和3.388 (1) Å]接触,分子还通过C—H⋯O和π—π [质心-质心距离 = 3.671 (2) Å]相互作用相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/29707b1b2c8e/e-68-0m936-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/7dcb1a02e9b1/e-68-0m936-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/70620a2f5a2e/e-68-0m936-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/29707b1b2c8e/e-68-0m936-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/7dcb1a02e9b1/e-68-0m936-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/70620a2f5a2e/e-68-0m936-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ff5c/3393198/29707b1b2c8e/e-68-0m936-fig3.jpg

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