Crystal structure of N ,N '-dibenzyl-3,3'-di-meth-oxy-benzidine

Acta Crystallographica. Section E, Crystallographic Communications
Hansu ImTae Ho Kim

Abstract

The title compound, (systematic name: N,N'-dibenzyl-3,3'-dimeth-oxy-1,1'-biphenyl-4,4'-di-amine), C28H28N2O2, was synthesized by the reduction of a Schiff base prepared via a condensation reaction between o-dianisidine and benzaldehyde under acidic conditions. The mol-ecule lies on a crystallographic inversion centre so that the asymmetric unit contains one half-mol-ecule. The biphenyl moiety compound is essentially planar. Two intra-molecular N-H⋯O hydrogen bonds occur. The dihedral angle between the terminal phenyl and phenyl-ene rings of a benzidine unit is 48.68 (6)°. The methyl-ene C atom of the benzyl group is disordered over two sets of sites, with occupancy ratio 0.779 (18):0.221 (18). In the crystal, mol-ecules are connected by hydrogen bonding between o-dianisidine O atoms and H atoms of the terminal benzyl groups, forming a one-dimensional ladder-like structure. In the data from DFT calculations, the central biphenyl showed a twisted conformation.

References

Feb 8, 2003·Acta Crystallographica. Section C, Crystal Structure Communications·Ahmed El-ShafeiHarold S Freeman
Aug 6, 2004·Acta Crystallographica. Section C, Crystal Structure Communications·Ahmed El-ShafeiHarold S Freeman
Dec 25, 2007·Acta Crystallographica. Section A, Foundations of Crystallography·George M Sheldrick
Jul 15, 2011·Acta Crystallographica. Section E, Structure Reports Online·Ashokkumar SubashiniHelen Stoeckli-Evans
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Apr 7, 2016·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Colin R GroomSuzanna C Ward
Oct 5, 2016·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Vani NagarajaNagendrappa Giddappa

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