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四水合 -(5,5'-二甲基 - 2,2'-联吡啶 - κ(2) N,N')硫酸亚铁(II)的晶体结构

Crystal structure of tetra-aqua-(5,5'-dimethyl-2,2'-bipyridyl-κ(2) N,N')iron(II) sulfate.

作者信息

Belamri Yamine, Setifi Fatima, Francuski Bojana M, Novaković Sladjana B, Zouaoui Setifi

机构信息

Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.

Vinča Institute of Nuclear Sciences, Laboratory of Theoretical Physics and Condensed Matter Physics, PO Box 522, University of Belgrade, 11001 Belgrade, Serbia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Nov 21;70(Pt 12):544-6. doi: 10.1107/S1600536814024982. eCollection 2014 Dec 1.

Abstract

In the title compound, [Fe(C12H12N2)(H2O)4]SO4, the central Fe(II) ion is coordinated by two N atoms from the 5,5'-dimethyl-2,2'-bi-pyridine ligand and four water O atoms in a distorted octa-hedral geometry. The Fe-O coordination bond lengths vary from 2.080 (3) to 2.110 (3) Å, while the two Fe-N coordination bonds have practically identical lengths [2.175 (3) and 2.177 (3) Å]. The chelating N-Fe-N angle of 75.6 (1)° shows the largest deviation from an ideal octa-hedral geometry; the other coordination angles deviate from ideal values by 0.1 (1) to 9.1 (1)°. O-H⋯O hydrogen bonding between the four aqua ligands of the cationic complex and four O-atom acceptors of the anion leads to the formation of layers parallel to the ab plane. Neighbouring layers further inter-act by means of C-H⋯O and π-π inter-actions involving the laterally positioned bi-pyridine rings. The perpen-dicular distance between π-π inter-acting rings is 3.365 (2) Å, with a centroid-centroid distance of 3.702 (3) Å.

摘要

在标题化合物[Fe(C₁₂H₁₂N₂)(H₂O)₄]SO₄中,中心Fe(II)离子由5,5'-二甲基-2,2'-联吡啶配体的两个N原子和四个水分子的O原子配位,形成扭曲的八面体几何构型。Fe—O配位键长在2.080(3)至2.110(3) Å之间变化,而两条Fe—N配位键的长度几乎相同[2.175(3)和2.177(3) Å]。螯合的N—Fe—N角为75.6(1)°,与理想八面体几何构型的偏差最大;其他配位角与理想值的偏差为0.1(1)至9.1(1)°。阳离子配合物的四个水合配体与阴离子的四个O原子受体之间的O—H⋯O氢键导致形成平行于ab平面的层。相邻层通过涉及侧向定位的联吡啶环的C—H⋯O和π—π相互作用进一步相互作用。π—π相互作用环之间的垂直距离为3.365(2) Å,质心间距为3.702(3) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e55b/4257445/7e61aaa0b8f5/e-70-00544-fig1.jpg

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