Crystal structure and Hirshfeld surface analysis of 6,6′-dimethyl-2,2′-bi­pyridine-1,1′-diium tetra­chlorido­cobaltate(II)

Sivaraman Jagadeesan , Swinton Darious Robert , Perumal Venkatesan , Rajamanikandan Sundararaj , Krishnan Soundararajan , Jeeva Jasmine Nithianantham , W. T. A. Harrison (Editor)
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引用次数: 0

Abstract

The title salt features N—H⋯Cl and C—H⋯Cl cation-to-anion hydrogen bonds and complementary anion-to-cation Cl⋯π inter­actions.

In the title mol­ecular salt, (C12H14N2)[CoCl4], the dihedral angle between the pyridine rings of the cation is 52.46 (9)° and the N—C—C—N torsion angle is −128.78 (14)°, indicating that the ring nitro­gen atoms are in anti-clinal conformation. The Cl—Co—Cl bond angles in the anion span the range 105.46 (3)–117.91 (2)°. In the extended structure, the cations and anions are linked by cation-to-anion N—H⋯Cl and C—H⋯Cl inter­actions, facilitating the formation of R44(18) and R44(20) ring motifs. Furthermore, the crystal structure features weak anion-to-cation Cl⋯π inter­actions [Cl⋯π = 3.4891 (12) and 3.5465 (12) Å]. Hirshfeld two-dimensional fingerprint plots revealed that the most significant inter­actions are Cl⋯H/H⋯Cl (45.5%), H⋯H (29.0%), Cl⋯C/C⋯Cl (7.8%), Cl⋯N/N⋯Cl (3.5%), Cl⋯Cl (1.4) and Co⋯H (1%) contacts.

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6,6'-dimethyl-2,2'-bi-pridine-1,1'-diium tetra-chlorido-cobaltate(II) 的晶体结构和 Hirshfeld 表面分析。
在标题分子盐 (C12H14N2)[CoCl4]中,阳离子吡啶环之间的二面角为 52.46 (9)°,N-C-C-N 扭转角为 -128.78 (14)°,表明环上的硝基原子处于反锁构象。阴离子中的 Cl-Co-Cl 键角范围为 105.46 (3)-117.91 (2)°。在扩展结构中,阳离子和阴离子通过阳离子与阴离子之间的 N-H⋯Cl 和 C-H⋯Cl 相互作用连接在一起,从而促进了 R 4 4(18) 和 R 4 4(20) 环图案的形成。此外,该晶体结构还具有较弱的阴离子-阳离子 Cl⋯π 相互作用[Cl⋯π = 3.4891 (12) 和 3.5465 (12) Å]。Hirshfeld 二维指纹图显示,最重要的相互作用是 Cl⋯H/H⋯Cl (45.5%)、H⋯H (29.0%)、Cl⋯C/C⋯Cl (7.8%)、Cl⋯N/N⋯Cl (3.5%)、Cl⋯Cl (1.4) 和 Co⋯H (1%) 接触。
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来源期刊
CiteScore
1.90
自引率
0.00%
发文量
351
审稿时长
3 weeks
期刊介绍: Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.
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