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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 ?-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 ?-? inter-actions to generate a three-dimensional network.

SUBMITTER: Chaabene M

PROVIDER: S-EPMC4971864 | biostudies-other | 2016 Aug

REPOSITORIES: biostudies-other

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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 Marwa M Khatyr Abderrahim A Knorr Michael M Askri Moheddine M Rousselin Yoann Y Kubicki Marek M MM

Acta crystallographica. Section E, Crystallographic communications 20160722 Pt 8

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-wid ...[more]

PMID: 27536405

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