Vassilyeva Olga Yu, Buvaylo Elena A, Kokozay Vladimir N, Skelton Brian W
Department of Chemistry, Taras Shevchenko National University of Kyiv, 64/13 Volodymyrska Street, Kyiv 01601, Ukraine.
School of Molecular Sciences, University of Western Australia (M310), Perth, WA 6009, Australia.
Acta Crystallogr E Crystallogr Commun. 2022 Mar 8;78(Pt 4):359-364. doi: 10.1107/S2056989022002420. eCollection 2022 Apr 1.
Three isomorphous 0-D hybrid salts, namely, 2-methyl-imidazo[1,5-]pyridinium tri-chlorido-iodido-zincate(II), (CHN)[ZnClI] or [][ZnClI], (I), 2-methyl-imidazo[1,5-]pyridinium di-bromido-dichlorido-cadmate(II), (CHN)[CdBrCl] or [][CdBrCl], (II), and 2-methyl-imidazo[1,5-]pyridinium tri-chlorido-iodido-cadmate(II), (CHN)[CdClI] or [][CdClI], (III), are assembled from discrete 2-methyl-imidazo[1,5-]pyridinium cations, , and mixed-halide tetra-halometallate anions. In the three structures, there are two crystallographically non-equivalent cations that were modelled as being rotationally disordered by 180°. In the lattices of the three compounds, a disordered state exists involving partial substitution of Cl by I for sites 2-4 in (I), Br by Cl for all four sites in (II) and Cl by I for site 2 in (III). In the solid state, the organic and inorganic sheets alternate parallel to the plane in a pseudo-layered arrangement. In the organic layer, pairs of centrosymmetic-ally related -oriented cations form π-bonded chains. The adjacent tetra-halometallate anions in the inorganic layer show no connectivity with the shortest ⋯ separations being greater than 7 Å. A variety of C-H⋯- ( = Cl, Br, I) contacts between the organic and inorganic counterparts provide additional structural stabilization. The title structures are isomorphous with the previously reported structures of the chloride analogues, [][ZnCl] and [][CdCl].
三种同构的零维杂化盐，即2-甲基咪唑并[1,5 -]吡啶三氯碘合锌酸盐(II)，(CHN)[ZnClI]或[][ZnClI]，(I)；2-甲基咪唑并[1,5 -]吡啶二溴二氯合镉酸盐(II)，(CHN)[CdBrCl]或[][CdBrCl]，(II)；以及2-甲基咪唑并[1,5 -]吡啶三氯碘合镉酸盐(II)，(CHN)[CdClI]或[][CdClI]，(III)，由离散的2-甲基咪唑并[1,5 -]吡啶阳离子和混合卤化物四卤合金属阴离子组装而成。在这三种结构中，有两个晶体学上不等价的阳离子，被模拟为通过180°旋转无序排列。在这三种化合物的晶格中，存在一种无序状态，涉及(I)中位点2 - 4的Cl被I部分取代，(II)中所有四个位点的Br被Cl取代，以及(III)中位点2的Cl被I取代。在固态下，有机层和无机层以假层状排列平行于平面交替排列。在有机层中，成对的中心对称相关的取向阳离子形成π键链。无机层中相邻的四卤合金属阴离子之间没有连接，最短的⋯间距大于7 Å。有机和无机对应物之间的各种C-H⋯ -（ = Cl、Br、I）接触提供了额外的结构稳定性。标题结构与先前报道的氯化物类似物[][ZnCl]和[][CdCl]的结构同构。
