Synthesis, crystal structure and Hirshfeld surface analysis of bis-(2-amino-1,3,4-thia-diazol-3-ium) diaqua-dichlorido(propanedioato-κ(2) O (1),O (3))manganate(II)

双(2-氨基-1,3,4-噻二唑-3-鎓)二水合二氯(丙二酸根-κ(2)O(1),O(3))锰(II)的合成、晶体结构和Hirshfeld表面分析

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Abstract

In the title salt, (C(2)H(4)N(3)S)(2)[MnCl(2)(C(3)H(2)O(4))(H(2)O)(2)], the central Mn(II) atom of the complex anion adopts a distorted octa-hedral coordination environment, defined by two aqua, two chlorido, and one bidentate malonato ligands. The anion is charge balanced by two thia-diazole moieties protonated at one of the heterocyclic N atoms. In the crystal, the cations and anions engage in extensive hydrogen-bonding inter-actions and short S⋯Cl contacts; additional π-π stacking inter-actions are present between adjacent cations. Hirshfeld surface analysis was used to qu-antify the inter-molecular inter-actions of the complex anion, revealing that H⋯O, H⋯Cl, and H⋯H inter-actions contribute most to the crystal packing.

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