title: Crystal structure of 4,4-di-bromo-1-(3,4-di-meth-oxy-phen-yl)-2-aza-buta-1,3-diene-1-carbo-nitrile.
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.
authors.affiliation: Laboratoire de Chimie Hétérocyclique, Produits Naturels et Réactivité (LR11ES39), Département de Chimie, Faculté des Sciences de Monastir, Tunisia.
authors.forename: Marwa
authors.initials: M
authors.lastname: Chaabene
authors.affiliation: Institut UTINAM UMR CNRS 6213, University of Franche-Comté, 16 route de Gray, 25030 Besançon, France.
authors.forename: Abderrahim
authors.initials: A
authors.lastname: Khatyr
authors.affiliation: Institut UTINAM UMR CNRS 6213, University of Franche-Comté, 16 route de Gray, 25030 Besançon, France.
authors.forename: Michael
authors.initials: M
authors.lastname: Knorr
authors.affiliation: Laboratoire de Chimie Hétérocyclique, Produits Naturels et Réactivité (LR11ES39), Département de Chimie, Faculté des Sciences de Monastir, Tunisia.
authors.forename: Moheddine
authors.initials: M
authors.lastname: Askri
authors.affiliation: ICMUB UMR CNRS 6302, University of Bourgogne, 9 avenue Alain Savary, 21078 Dijon, France.
authors.forename: Yoann
authors.initials: Y
authors.lastname: Rousselin
authors.affiliation: ICMUB UMR CNRS 6302, University of Bourgogne, 9 avenue Alain Savary, 21078 Dijon, France.
authors.forename: Marek M
authors.initials: MM
authors.lastname: Kubicki
keywords: crystal structure; halogen bonding; substituted 2-aza­buta-1,3-diene; weak hydrogen bonding; π–π inter­actions