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X‐ray crystal structure analysis for CI Disperse Orange 61

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The synthesis, crystal structure analysis and characterisation of a monoazo dye, CI Disperse Orange 61, are reported. The dye crystallised in the triclinic system, space group P‐1 with a = 8.859(2), b = 9.899(2), c = 11.417(3)Å, α = 78.51(4)°, β = 70.37(3)°, γ = 80.46(4)°, V = 918.8(4)Å3 and Z = 2. There is only one molecule in the asymmetric unit. The two phenyl rings are oriented at a dihedral angle of 57.87(20)°. In the crystal structure, intermolecular C–H…N hydrogen bonds link the molecules into centrosymmetric dimers, forming R 2 2(30) ring motifs, in which they may be effective in the stabilisation of the structure. The π…π stacking (interactions) between the phenyl rings may further stabilise the structure, with a centroid–centroid distance of 3.741(4)Å.
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Document Type: Research Article

Affiliations: 1: College of Food Science and Light Industry, Nanjing University of Technology, Nanjing 210009, China 2: Department of Physics, Hacettepe University, Beytepe-Ankara 06800, Turkey

Publication date: April 1, 2012

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