Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile (2016)

Data creators : Abderrahim Khatyr [1] [2], Marek M. Kubicki [3], Marwa Chaabene [4], Michael Knorr [1] [2], Mohedinne Askri [4], Yoann Rousselin [3]
[1] : Institut UTINAM (UMR 6213) (Université de Franche-Comté)
[2] : Observatoire des Sciences de l'Univers - Terre, Homme, Environnement, Temps, Astronomie (UAR 3245) (Université de Franche-Comté)
[3] : Institut de Chimie Moléculaire de l'Université de Bourgogne (UMR 6302) (Université de Bourgogne)
[4] : Département de Chimie, Faculté des Sciences de Monastir
Description :
The title compound, C12H10Br2N2O2, represents an example of a planar π-con­jugated 2-aza­butadiene mol­ecule, which is both an inter­esting starting material for further organic transformations and a potential ligand in organometallic coordination chemistry. Its metric mol­ecular parameters are typical for the family of 2-aza­buta-1,3-dienes not substituted at the (CH) 3-position. In the crystal, the almost planar (r.m.s. deviation = 0.0658 Å) aza­diene mol­ecules form one-dimensional double-wide ribbons through inter­molecular 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 inter­actions to generate a three-dimensional network.
Disciplines :
chemistry, organic (chemistry), crystallography (chemistry)

General metadata

Data acquisition date : 2016
Data acquisition methods :
Language : English (eng)
Formats : chemical/x-cif, chemical/x-cml
Audience : University: master, Research
Publications :
Record created 22 Jul 2016 by Michael Knorr.
Local identifier: FR-18008901306731-2016-07-22-03.


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