X-ray crystal structure of CI Disperse Brown 1

作者：Seo Joobeom; Jo Won o Jo; Choi Green; Park Ki Min; Lee Shim Sung; Lee Jeong Sook^*

来源：Dyes and Pigments, 2007, 72(3): 327-330.

DOI：10.1016/j.dyepig.2005.09.009

• CI Disperse Brown 1
• X-ray crystal structure
• hydrogen bond

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) angstrom, b = 32.2928(18) angstrom, c = 7.3738(4) angstrom, alpha = beta = gamma = 90 degrees, V = 7300.6(7) angstrom(3). Results showed that the 4-nitro-4'-aminoazobenzene skeleton is non-planar, with a dihedral angle of 45.53 degrees between the phenyl rings presumably to minimize the repulsive force between Cl 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-(HO)-O-... intramolecular hydrogen bond.

• 出版日期2007