Part 1
Crystal Structure of 4-[(1E)-(2,3-Dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
2007 Volume 23 Pages x11-x12
Details
2007 Volume 23 Pages x11-x12
The title compound, 4-[(1E)-(2,3-dihydroxybenzylidene)amino]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one (C18H17N3O3), was synthesized and its crystal structure was determined by an X-ray method. The crystal belongs to the monoclinic system, space group P21/c. The cell parameters are: a = 16.420(3)Å, b = 7.3608(15)Å, c = 13.517(3)Å, β = 103.92(3)°, V = 1585.8(6)Å3, Z = 4, the final R = 0.0569 and wR = 0.1306. The molecules are linked by intermolecular O-H…O hydrogen bonds into a zigzag 1D chain along the b-axis. Intramolecular O-H…N hydrogen bonds and a π-π stacking interaction were also found. The molecular structure adopts a trans configuration about the central C=N double bond.
