X-ray crystal structure of C.I. Disperse Blue 79
2002; Elsevier BV; Volume: 54; Issue: 2 Linguagem: Inglês
10.1016/s0143-7208(02)00037-2
ISSN1873-3743
AutoresKi‐Min Park, Il Yoon, Shim Sung Lee, Green Choi, Jeong Sook Lee,
Tópico(s)Synthesis and Characterization of Heterocyclic Compounds
ResumoCrystals of C.I. Disperse Blue 79, a commercial aminoazobenzene dye, were grown from an ethyl acetate solution and the crystal structure was determined by single crystal X-ray diffraction analysis. The dye molecule crystallizes in the triclinic space group P-1 with the unit cell dimensions: a=11.467(2) Å, b=11.952(2) Å, c=12.372(2) Å, α=101.047(4)°, β=113.221(4)°, γ=108.204(4)°. Results showed that the 4-nitro-4′-aminoazobenzene skeleton of the dye is quasi planar, with a dihedral angle of 9.4(3)° between two aromatic rings. The intra- and intermolecular hydrogen bonds, together with the interlayer aromatic π–π stacking interactions, stabilize the molecular conformation and packing in the crystal structure.
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