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


ABSTRACT: The 0-D hybrid salt bis-(2-methyl-imidazo[1,5-a]pyridin-2-ium) tetra-chlorido-manganate(II), (C8H9N2)2[MnCl4] or [L]2[MnCl4], consists of discrete L + 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 MnCl4 2- 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 bc plane. In the organic layer, pairs of centrosymmetrically related trans-oriented L + cations are π-stacked. Neighboring MnCl4 2- 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.

SUBMITTER: Vassilyeva OY 

PROVIDER: S-EPMC10088312 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature

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

Vassilyeva Olga Yu OY   Buvaylo Elena A EA   Kokozay Vladimir N VN   Skelton Brian W BW  

Acta crystallographica. Section E, Crystallographic communications 20230328 Pt 4


The 0-D hybrid salt bis-(2-methyl-imidazo[1,5-<i>a</i>]pyridin-2-ium) tetra-chlorido-manganate(II), (C<sub>8</sub>H<sub>9</sub>N<sub>2</sub>)<sub>2</sub>[MnCl<sub>4</sub>] or [<i>L</i>]<sub>2</sub>[MnCl<sub>4</sub>], consists of discrete <i>L</i> <sup>+</sup> 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<sub>4</sub>  ...[more]

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