Molecular structure of isopropyl 1-phenyl-4-phenylhydrazono-5-oxo-3-pyrazolecarboxylate |
| |
Authors: | J Skoweranda M Bukowska-Strzyzewska W Strzyzewski |
| |
Institution: | (1) Institute of General Chemistry, Technical University, 90-924 ód , Poland;(2) Institute of Chemistry, University of ód , 90-136 ód , Poland |
| |
Abstract: | The new azopyrazolone dye has been synthesized and its crystal structure has been investigated. Crystals of C19H18N4O3 are triclinic:
,a=7.484(1),b=10.646 (1),c=11.897(1) Å, =82.28(1), =72.86(1), =86.83(1)°,Z=2. The structure has been solved by direct methods and refined by full-matrix least-squares techniques toR=0.050 for 2622 unique reflections. The tautomeric form of the molecules has been determined as a hydrazo form. Delocalization of the C5=O3 and C4=N3 -electrons and delocalization of the lone-pair electrons of N1, N3, and N4 atoms has been observed. The intramolecular N–H...O hydrogen bond forms the six-membered ring C2N2H...O condensed with the pyrazolone ring. The molecules are connected by intramolecular C–H...O hydrogen bonds. |
| |
Keywords: | Azopyrazolone dye C19H18N4O3 tautomeric forms |
本文献已被 SpringerLink 等数据库收录! |
|