Synthesis and structural study of N-isopropenylbenzimidazolone

Denise Mondieig (1) , Philippe Negrier (1) , Jean-Michel Léger, (2) , Loubna Lakhrissi (3, 4) , Abdeslam El Assyry (5) , Brahim Lakhrissi (3) , El Mokhtar Essassi (4) , Bouziane Benali (5) , Abdelkhalek Boucetta (5)

1 LOMA - Laboratoire Ondes et Matière d'Aquitaine
2 Laboratoire de Pharmacochimie
3 Laboratoire de Chimie d'Agroressources et Génie des Procédés
4 Laboratoire de Chimie Organique Hétérocyclique
5 Laboratoire d'Opto-électronique et de Physico-Chimie des Matériaux

The synthesis and the crystal structure of the N-isopropenylbenzimidazolone (C10H10N2O) are presented. The synthesis was performed by Meth-Cohen method by reaction of o-phenylenediamine with ethyl acetoacetate in refluxed xylene. The single crystal structure was determined at room temperature by means of X-rays diffraction. The crystal system is monoclinic, with space group C2/c and eight molecules per unit cell. The unit cell dimensions are: a = 15.978(1) Å, b = 6.100(2) Å, c = 18.222(2) Å, β = 90.16(1)° and V = 1776.0(6) Å3.

Mots clés: N-isopropenybenzimidazolone; Single crystal structure; Synthesis

Domaines: Cristallographie

Denise Mondieig, Philippe Negrier, Jean-Michel Léger,, Loubna Lakhrissi, Abdeslam El Assyry, et al.. Synthesis and structural study of N-isopropenylbenzimidazolone. Russian Journal of Physical Chemistry A, Focus on Chemistry / Zhurnal fizicheskoi khimii, 2015, 89 (5), pp.807-811. ⟨10.1134/S0036024415050271⟩. ⟨hal-01155643⟩