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杂化盐双-(2-甲基-咪唑并[1,5-]吡啶-2-鎓)四氯合锰(II)的合成、晶体结构及 Hirshfeld 表面分析

Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis-(2-methyl-imidazo[1,5-]pyridin-2-ium) tetra-chlorido-manganate(II).

作者信息

Vassilyeva Olga Yu, Buvaylo Elena A, Kokozay Vladimir N, Skelton Brian W

机构信息

Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine.

School of Molecular Sciences, M310, University of Western Australia, Perth, WA 6009, Australia.

出版信息

Acta Crystallogr E Crystallogr Commun. 2023 Mar 28;79(Pt 4):397-401. doi: 10.1107/S2056989023002761. eCollection 2023 Mar 1.

Abstract

The 0-D hybrid salt bis-(2-methyl-imidazo[1,5-]pyridin-2-ium) tetra-chlorido-manganate(II), (CHN)[MnCl] or [][MnCl], consists of discrete cations and tetra-chlorido-manganate(II) anions. The fused heterocyclic rings in the two crystallographically non-equivalent monovalent organic cations are almost coplanar; the bond lengths are as expected. The tetra-hedral MnCl dianion is slightly distorted with the Mn-Cl bond lengths varying from 2.3577 (7) to 2.3777 (7) Å and the Cl-Mn-Cl angles falling in the range 105.81 (3)-115.23 (3)°. In the crystal, the compound demonstrates a pseudo-layered arrangement of separate organic and inorganic sheets alternating parallel to the plane. In the organic layer, pairs of centrosymmetrically related -oriented cations are π-stacked. Neighboring MnCl dianions in the inorganic sheet show no connectivity, with the minimal Mn⋯Mn distance exceeding 7 Å. The Hirshfeld surface analysis revealed the prevalence of the non-conventional C-H⋯Cl-Mn hydrogen bonding in the crystal packing.

摘要

零维杂化盐双(2-甲基咪唑并[1,5 - ]吡啶 - 2 - 鎓)四氯锰酸(II),(CHN)[MnCl] 或 [][MnCl],由离散的阳离子和四氯锰酸(II)阴离子组成。两个晶体学上不等价的单价有机阳离子中的稠合杂环几乎共面;键长符合预期。四面体的MnCl二阴离子略有畸变,Mn - Cl键长在2.3577 (7)至2.3777 (7) Å之间变化,Cl - Mn - Cl角在105.81 (3) - 115.23 (3)°范围内。在晶体中,该化合物呈现出与平面平行交替排列的单独有机和无机片层的准层状排列。在有机层中,中心对称相关的取向的阳离子对呈π堆积。无机片中相邻的MnCl二阴离子没有连接,Mn⋯Mn的最小距离超过7 Å。 Hirshfeld表面分析表明在晶体堆积中存在非常规的C - H⋯Cl - Mn氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/be41/10088312/5ef851a7de0b/e-79-00397-fig1.jpg

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