1, 4-Dinitroimidazole and derivatives. Structure and thermal rearrangement

MR Grimmett, ST Hua, KC Chang, SA Foley…

Index: Grimmett, M. Ross; Hua, Sio-Tiok; Chang, Kuei-Choo; Foley, Sandra A.; Simpson, Jim Australian Journal of Chemistry, 1989 , vol. 42, # 8 p. 1281 - 1289

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Citation Number: 53

Abstract

Abstract Nitration of 4-nitroimidazole in acetic anhydride/glacial acetic acid gives 1, 4- dinitroimidazole. The crystal and molecular structure of this compound have been determined by direct methods. Crystals are orthorhombic; P2 1 2 1 2 1, a 5.853 (3), b 9.591 (8), c 10.392 (5) Å, V 583.4 (7) Å 3, D m 1. 76 g cm-1, D c, 1. 80 g cm-1 (Z= 4); λ 0.71069 Å; T 173 K. The structure was refined to R= 0.048 for 926 reflections [I> 2 σ (1)].