Synthesis, crystal structure and Hirshfeld surface analysis of the hybrid salt bis(2-methylimidazo[1,5-a]pyridin-2-ium) tetrachloridomanganate(II)

The 0-D hybrid salt bis(2-methylimidazo[1,5-a]pyridin-2-ium) tetrachloridomanganate(II), (C8H9N2)(2)[MnCl4] or [L](2)[MnCl4], consists of discrete L+ cations and tetrachloridomanganate(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 tetrahedral MnCl(4)(2-)dianion is slightly distorted with the Mn-Cl bond lengths varying from 2.3577 (7) to 2.3777 (7) A degrees and the Cl-Mn-Cl angles falling in the range 105.81 (3)-115.23 (3)(circle). In the crystal, the compound demonstrates a pseudolayered 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 stacked. Neighboring MnCl42- dianions in the inorganic sheet show no connectivity, with the minimal Mn center dot center dot center dot Mn distance exceeding 7 A degrees. The Hirshfeld surface analysis revealed the prevalence of the non-conventional C-H center dot center dot center dot Cl-Mn hydrogen bonding in the crystal packing.

Automated summary

This article investigates a new type of 0-D hybrid salt, composed of discrete organic cations and tetrachloridomanganate(II) anions. The crystal structure shows that the fused heterocyclic rings in the organic cations almost coplanar and have expected bond lengths. The tetrahedral MnCl4(2-) anion is slightly distorted with varying bond lengths and angles. In the crystal, the compound exhibits a pseudolayered arrangement with separate organic and inorganic sheets stacked alternately. The analysis also reveals the presence of non-conventional C-H center dot center dot center dot Cl-Mn hydrogen bonding in the crystal packing.