Application of 4897-25-0. Aromatic heterocyclic compounds can also be classified according to the number of heteroatoms contained in the heterocycle: single heteroatom, two heteroatoms, three heteroatoms and four heteroatoms. Compound: 5-Chloro-1-methyl-4-nitroimidazole, is researched, Molecular C4H4ClN3O2, CAS is 4897-25-0, about 4-Cyclopropyl-1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole and Ethyl 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole-4-carboxylate. Author is Boechat, Nubia; Carvalho, Alcione S.; Quaresma, Bruna M. C. S.; Wardell, James L.; Wardell, Solange M. S. V..
The crystal structures of 4-cyclopropyl-1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole (I) and Et 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-1H-1,2,3-triazole-4-carboxylate (II) were reported. The two mols. were non-planar as indicated by the dihedral angles between the heteroaryl rings of 53.94 (7)° in I (R = cyclopropyl) and 70.68 (12)° in I (R = EtOCO). Considerable delocalization of π-electron d. within the triazole ring was indicated by the pattern of bond distances in I. By contrast to I, localization of π-electron d. within the triazole ring in II was apparent. In both mols., the nitro group took part in N-O···π(imidazole) interactions. Compound I crystallized in the orthorhombic space group P212121 with a = 7.8053(3) Å, b = 8.5264(3) Å, c = 15.7343(11) Å and Z = 4. Compound II crystallized in the monoclinic space group, P21/c with a = 5.2740(4) Å, b = 8.9695(5) Å, c = 26.0080(18) Å, β = 92.622(2)° and Z = 4.
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Reference:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts