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

摘要: Abstract Crystals of C.I. Disperse Brown 1, an aminoazobenzene derivative, were grown from ethanol solution and the crystal structure was determined by single X-ray diffraction analysis. The dye molecule crystallizes in orthorhombic Fdd2 space group with unit cell dimensions: a = 30.6593(17) A, b = 32.2928(18) A, c = 7.3738(4) A, α = β = γ = 90°, V = 7300.6(7) A3. Results showed that 4-nitro-4′-aminoazobenzene skeleton is non-planar, a dihedral angle 45.53° between phenyl rings presumably to minimize repulsive force Cl atoms each ring. Several types intra- intermolecular hydrogen bonds, together anti-parallel interlayer π–π stacking interaction also stabilize molecular conformation. In particular, two aminoalcohol chains form pseudo-cycle strong O–H⋯O intramolecular bond.