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

Acta Crystallographica Section E: Crystallographic Communications

Kubicki, M.M.¹  Rousselin, Y.¹  Khatyr, A.²  Knorr, M.²  Askri, M.³  Chaabene, M.³ 

[1] ICMUB UMR CNRS 6302, University of Bourgogne, 9 avenue Alain Savary, 21078 Dijon, France;Institut UTINAM UMR CNRS 6213, University of Franche-Comté, 16 route de Gray, 25030 Besançon, France;Laboratoire de Chimie Hétérocyclique, Produits Naturels et Réactivité (LR11ES39), Département de Chimie, Faculté des Sciences de Monastir, Tunisia

关键词: CRYSTAL STRUCTURE;    SUBSTITUTED 2-AZABUTA-1;    3-DIENE;    WEAK HYDROGEN BONDING;    HALOGEN BONDING;    [PI]-[PI] INTERACTIONS;   

DOI  :  10.1107/S2056989016011075

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY