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水合 - [2,2' -（丙烷 - 1,3 - 二基）双 -（5 - 羧基 - 1H - 咪唑 - 4 - 羧基 - 合） - κ(4)N(3),O(4):N(3'),O(4')]（吡啶 - κN）钴（II） - 4,4' - 联吡啶（1/1）

Aqua-[2,2'-(propane-1,3-di-yl)bis-(5-car-boxy-1H-imidazole-4-carboxyl-ato)-κ(4)N(3),O(4):N(3'),O(4')](pyridine-κN)cobalt(II)-4,4'-bipyridine (1/1).

作者信息

Liu Wei, Li Xia

机构信息

Department of Chemistry and Chemical Engineering, Henan University of Urban Construction, Pingdingshan, Henan 467044, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1109-10. doi: 10.1107/S1600536812029856. Epub 2012 Jul 25.

DOI:10.1107/S1600536812029856
PMID:22904763
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3414156/
Abstract

In the title compound, [Co(C(13)H(10)N(4)O(8))(C(5)H(5)N)(H(2)O)]·C(10)H(8)N(2), the asymmetric unit comprises half a Co(II) complex located on a mirror plane and half a cocrystallized mol-ecule of 4,4'-bipyridine located on an inversion center. The Co(II) ion is six coordinate, with distorted octa-hedral geometry, ligated by two N atoms and two O atoms from a 2,2'-(propane-1,3-di-yl)bis-(5-carboxy-1H-imidazole-4-carboxyl-ate) dianion, one N atom from a pyridine mol-ecule and one coordinating water mol-ecule. The Co-O bond lengths range from 2.076 (2) to 2.1441 (15) Å, while the Co-N bond lengths are 2.138 (3) and 2.1515 (17) Å. A two-dimensional network of N-H⋯O and O-H⋯N hydrogen bonds stabilizes the crystal packing. There are π-π inter-actions between the bipyridine and imidazole rings [centroid-centroid distance = 3.7694 (4) Å]. The propane-1,3-diyl group is disordered over two conformations, with refined occupancies of 0.755 (8) and 0.245 (8).

摘要

在标题化合物[Co(C₁₃H₁₀N₄O₈)(C₅H₅N)(H₂O)]·C₁₀H₈N₂中，不对称单元包括位于镜面的半个Co(II)配合物和位于对称中心的半个共结晶的4,4'-联吡啶分子。Co(II)离子为六配位，具有扭曲的八面体几何构型，由2,2'-(丙烷-1,3-二基)双-(5-羧基-1H-咪唑-4-羧酸盐)二价阴离子的两个N原子和两个O原子、一个吡啶分子的N原子以及一个配位水分子配位。Co—O键长范围为2.076(2)至2.1441(15) Å，而Co—N键长为2.138(3)和2.1515(17) Å。N—H⋯O和O—H⋯N氢键的二维网络稳定了晶体堆积。联吡啶环和咪唑环之间存在π-π相互作用[质心-质心距离 = 3.7694(4) Å]。丙烷-1,3-二基在两种构象上无序，精修占有率分别为0.755(8)和0.245(8)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ecc0/3414156/d0612cc95782/e-68-m1109-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ecc0/3414156/d0612cc95782/e-68-m1109-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ecc0/3414156/d0612cc95782/e-68-m1109-fig1.jpg

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本文引用的文献

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