M. Kubicki, P. Wagner
Mar 30, 2008
Citations
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Influential Citations
6
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract Two similar 4-nitroimidazole derivatives, 1-(2′-aminophenyl)-2-methyl-4-nitroimidazole, C 10 H 9 N 3 O 3 , and 1-(2′-hydroxyphenyl)-2-methyl-4-nitroimidazole, C 10 H 10 N 4 O 2 , crystallize with two molecules in the asymmetric unit ( Z ′ = 2). Packing conflicts may result from tendency towards closing hydrogen-bonded rings (dimer for amino-, and tetramer for hydroxy-derivative) and molecular stacking. These conflicts are solved in different ways in both compounds, due to the different nature of 2′-substituents, but in both cases the crystal structure involves multiple molecules in the asymmetry unit. The geometrical features of symmetry-independent molecules are similar. The nitro group is almost coplanar with the imidazole plane in amino derivative while it is significantly twisted in hydroxy-one.