CRYSTAL AND MOLECULAR-STRUCTURE OF CI SOLVENT YELLOW-2, 1-PHENYLAZO-4 (N,N-DIMETHYLAMINE)-PHENYL

The crystal structure of C.I. Solvent Yellow 2, C14H15N3, has been determined by single crystal X-ray diffraction techniques. It crystallizes in the orthorhombic system with a = 6.059(2) angstrom, b = 7.398(1) angstrom, c = 27.467(4) angstrom, space group P2(1)2(1)2(1), Z = 4. The structure has been solved by direct methods and least-squares has been completed on three dimensional data (688 reflections, Mo Kalpha radiation). The hydrogen positions have been found but only their positional parameters refined. Final residual 0.055 (all positive intensity data). The molecule exists as an azo-compound and is almost planar. The molecules are packed in columns parallel to the b axis, within each column they are packed in layers almost parallel to the (130) or (130BAR) plane depending on the column. The molecules are linked by van der Waals' forces.