Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile.

Chaabene M, Khatyr A, Knorr M, Askri M, Rousselin Y, Kubicki MM. Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile. Acta Crystallogr E Crystallogr Commun. 2016;72(Pt 8):1167–70.

Abstract

The title compound, C12H10Br2N2O2, represents an example of a planar π-con-jugated 2-aza-butadiene mol-ecule, which is both an inter-esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol-ecular parameters are typical for the family of 2-aza-buta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658 Å) aza-diene mol-ecules form one-dimensional double-wide ribbons through inter-molecular halogen bonds (C-Br...O and C-Br...Br-C), which then stack in a slipped manner through weak C-H...Br and π-π inter-actions to generate a three-dimensional network.
Last updated on 02/26/2023