Substituted 4-Acyl-5-methyl-2-phenyl-pyrazol-3-one-phenylhydrazones with Antioxidant Properties: X-Ray Crystal and Spectroscopic Studies

Table 1

Crystallographic data for Empp-Ph and Prmpp-Ph.

Compound	Empp-Ph	Prmpp-Ph	Pmpp-Ph [25]
Formula	O	O	O
Crystal colour and form	Yellow/block	Golden yellow/block	Yellow/block
Formula weight	320.39	334.42	368.43
Crystal system	Triclinic	Triclinic	Monoclinic
Space group	P-1	P-1	P21/c
a	8.8820(2) (Å)	9.0474(3) (Å)	8.6806(2) (Å)
b	9.5593(3) (Å)	9.4350(3) (Å)	20.4319(4) (Å)
c	10.4678(3) (Å)	10.5546(3) (Å)	10.6100(2) (Å)
α	80.690	81.162	90°
β	81.658	78.850	99.713
γ	81.484	82.568	90°
V	860.69(4) (Å^3)	868.84(5) (Å^3)	1854.83(7) (Å^3)
Z	2	2	4
	1.236 (Mg cm^−1)	1.278 (Mg cm^−1)	1.319 (Mg cm^−1)
F (000)	340	356	776
θ range	2.2, 28.3 (°)	2.0, 28.4 (°)	2.4, 28.3 (°)
Crystal size	0.25 × 0.33 × 0.40 (mm)	0.31 × 0.32 × 0.47 (mm)	0.33 × 0.40 × 0.45 (mm)
Dataset	−11 : 11; −12 : 12; −13 : 13	−12 : 11; −12 : 12; −14 : 14	−11 : 11; −27 : 26; −14 : 14
Tot., uniq. data, R(int)	19169, 4275, 0.014	15195, 4294, 0.019	17965, 4607, 0.014
Observed data [ > 2 σ()]	3705	3632	3891
Temperature	200 (K)	200 (K)	200 (K)
Parameters	227	237	262
w2, S	0.1035, 1.05	0.1027, 1.04	0.1079, 1.04