Crystallisation of 1,2-dimethylimidazole, and 1-methylimidazole with organic acids
Hadeer Q. Waleed, Rehana Bano, Anikó Csábrádiné Jordán, Olga Książkiewicz, Marcin Palusiak, Béla Fiser
TL;DR
This paper describes the crystallization and structural analysis of two imidazole derivatives with organic acids, revealing insights into their hydrogen bonding and intermolecular interactions.
Contribution
The study characterizes a new molecular salt of 1-methylimidazole with succinic acid and provides detailed structural and interaction analyses.
Findings
Molecular salts of 1-methylimidazole with succinic acid were characterized for the first time.
Hydrogen bonds (N-H…O and C-H…O) link molecules in both crystal structures.
QTAIM and IRI analyses reveal distinct bond critical paths and interaction patterns between the molecular salts.
Abstract
Crystals of 1-methylimidazole and 1,2-dimethylimidazole with glutaric and succinic acids are described. The crystal structure including 1,2-dimethylimidazole and glutaric acid, has been reported previously, but the molecular salt of 1-methylimidazole with succinic acid were characterized for the first time in this study. The structures were characterised by using X-ray crystallography, intermolecular hydrogen bond geometry, energy, and topology. In both crystal structures the molecules are linked by N-H….O and C-H….O hydrogen bonds. Using Hirshfeld surface analyses and quantum-theoretical calculations, we provide insights into the intermolecular interactions, revealing dependencies on the chemical environment. The result of the interaction region indicator (IRI) analysis indicated that succinic acid and 1-methylimidazole (II) exhibits low gradient, low density, and sharp spikes, whereas…
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Taxonomy
TopicsCrystallography and molecular interactions · Crystal structures of chemical compounds · Nonlinear Optical Materials Research