Energies of isomerization in nitro derivatives of diazole was written by Lebedev, Vyacheslav P.;Matyushin, Yuriy N.;Miroshnichenko, Evgeniy A.;Konkova, Tatyana S.;Vorobev, Aleksei B.;Inozemtsev, Yaroslav O.. And the article was included in International Annual Conference of ICT in 2008.Formula: C4H5N3O2 This article mentions the following:
Energy of combustion of nitro derivatives of pyrazole and imidazole are measured. The energy of isomerization is estimated as the difference between enthalpies of formation of corresponding isomers. The influence of number, place of connection and chem. nature of substituents on energy of isomerization is considered. The obtained exptl. magnitudes will essentially fill up a database on enthalpies of formation and energies of isomerization of heterocyclic aromatic five-membered rings. These data are necessary for the further development of calculated methods that will allow purposeful search of structures with the set energetic properties. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Formula: C4H5N3O2).
1-Methyl-4-nitroimidazole (cas: 3034-41-1) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Formula: C4H5N3O2
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem