On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts was written by de Pedro, I.;Garcia-Saiz, A.;Dupont, J.;Migowski, P.;Vallcorba, O.;Junquera, J.;Rius, J.;Rodriguez Fernandez, J.. And the article was included in Crystal Growth & Design in 2015.Computed Properties of C7H13ClN2 This article mentions the following:
The imidazolium salts 1-ethyl-2,3-dimethylimidazolium chloride, Edimim[Cl], and bromide, Edimim[Br], exhibit neg. and pos. thermal expansions, as determined by variable-temperature synchrotron powder x-ray diffraction experiments Both compounds crystallize in the same monoclinic centrosym. space group, showing an anisotropic H-bonding network and imidazolium-imidazolium π+-π+ interactions, which were corroborated by d. functional theory studies. The chloride derivative displays a highly anisotropic thermal expansion with a colossal pos. coefficient along one direction. Replacement of Cl– by Br– in the same crystal structure produces an increase of the colossal coefficient and induces a biaxial neg. thermal expansion. By studying the mol. vibration factors and the H-bonding framework in their crystals as a function of temperature, it was possible to rationalize at the mol. level the mechanism for the observed anomalies in thermal expansion. Crystallog. data and at. coordinates are given. In the experiment, the researchers used many compounds, for example, 1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6Computed Properties of C7H13ClN2).
1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Computed Properties of C7H13ClN2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem