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Crystal structure and Hirshfeld surface analysis of bis-(6,7,8,9-tetra-hydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetra-chlorido-zincate.

ABSTRACT: The title compound, (C₁₂H₁₅N₂)₂[ZnCl₄], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetra-hedral chloro-zincate dianion. N-H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one formula unit. The effect of hydrogen bonding is reflected in the minor distortions of the [ZnCl₄]^2- moiety: distances between the cation and chlorido ligands engaged in classical hydrogen bonds are significantly longer than the others. Secondary inter-actions comprise C-H⋯π hydrogen bonding and weak π-π stacking. A Hirshfeld surface analysis indicates that the most abundant contacts in packing stem from H⋯H (47.8%) and Cl⋯H/H⋯Cl (29.3%) inter-actions.

SUBMITTER: Tojiboev A

PROVIDER: S-EPMC8183451 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of bis-(6,7,8,9-tetra-hydro-11H-pyrido[2,1-b]quinazolin-5-ium) tetra-chlorido-zincate.

Tojiboev Akmaljon A Okmanov Rasul R Englert Ulli U Wang Ruimin R Pan Fangfang F Turgunov Kambarali K Tashkhodjaev Bakhodir B

Acta crystallographica. Section E, Crystallographic communications 20210514 Pt 6

The title compound, (C12H15N2)2[ZnCl4], is a salt with two symmetrically independent, essentially planar heterocyclic cations and a slightly distorted tetra-hedral chloro-zincate dianion. N-H⋯Cl hydrogen bonds link these ionic constituents into a discrete aggregate, which comprises one formula unit. The effect of hydrogen bonding is reflected in the minor distortions of the [ZnCl4]2- moiety: distances between the cation ...[more]

PMID: 34164141

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