X-ray crystal structure of C.L Disperse Brown 1

摘要

Crystals of C.I.Disperse Brown 1,an aminoazobenzene derivative,were grown from an ethanol solution and the crystal structure was determined by single crystal X-ray diffraction analysis.The dye molecule crystallizes in the orthorhombic Fdd2 space group with the unit cell dimensions:a=30.6593(17) A,b=32.2928(18) A,c=7.3738(4) A,alpha=beta=gamma=90~(deg),V=7300.6(7) A~3.Results showed that the 4-ni-tro-4'-aminoazobenzene skeleton is non-planar,with a dihedral angle of 45.53~(deg) between the phenyl rings presumably to minimize the repulsive force between CI atoms in each ring.Several types of intra-and intermolecular hydrogen bonds,together with anti-parallel interlayer pi-pi stacking interaction also stabilize the molecular conformation.In particular,two aminoalcohol chains form a pseudo-cycle by strong O-H… O intramolecular hydrogen bond.