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

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Quotation

Mohedinne Askri, Marwa Chaabene, Abderrahim Khatyr, Michael Knorr, Marek M. Kubicki, Yoann Rousselin (2016): Crystal structure of 4,4-di­bromo-1-(3,4-di­meth­­oxy­phen­yl)-2-aza­buta-1,3-diene-1-carbo­nitrile. IUCr. doi:10.1107/S2056989016011075

General metadata

Identifier :local : FR-18008901306731-2016-07-22-03 external : doi:10.1107/S2056989016011075
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)
Keywords :

Dates :
Data acquisition : 2016
Metadata record :
Creation : 22 Jul 2016
Issue : 22 Jul 2016

Language : English (eng)
Audience : University : master, Research

Administrative metadata

Data creatorsAffiliation
Mohedinne AskriLR11ES39
Marwa ChaabeneLR11ES39
Abderrahim KhatyrUTINAM
Michael KnorrUTINAM
Marek M. KubickiICMUB
Yoann RousselinICMUB
Publisher : International Union of Crystallography
Science contact : Michael Knorr website e-mail
Access : available

Technical metadata

Formats : chemical/x-cif, chemical/x-cml
Data acquisition methods :
Datatype : Dataset

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