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The crystal and molecular structure of azo disperse dye 3-(4-diethylamino-phenyl-azo)phthalimide

Published/Copyright: August 25, 2010
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Abstract

The crystal and molecular structure of disperse dye 3-(4-diethylamino-phenyl-azo)phthalimide C18H17N4O2 has been determined by single crystal X-ray diffraction technique at low temperature. It crystallizes in the orthorhombic system with cell parameters: a = 17.784(1) Å, b = 8.048 Å, c = 21.72 Å; the space group is Pbcn with 8 molecules per unit cell. Experimental data were collected on Picker FACS-1 diffractometer at − 162°C. 3028 intensities were measured. The structure was solved using SHELX-76 and refined of R of 0.06. The hydrogen atoms were located in a difference fourier map and their positions refined.

The molecules exist as the azo conformers and are in contrary to previously reported 4-(4-diethylamino-phenyl-azo)phthalimide not planar, but twisted. Each molecule is paired with a second one by hydrogen bonding of the phthalimide group about a center of symmetry.

Published Online: 2010-08-25
Published in Print: 1988

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