Synthesis of Pyrazolone Derivatives and Their Nanometer Ag(I) Complexes and Physicochemical, DNA Binding, Antitumor, and Theoretical Implementations

Table 3

XRD computed data for Ag(I)-pyrazolone (HL^1–4) complexes.

Compounds	Size (Å)	2θ	Intensity	d-spacing (Å)	ε	δ(Å^−2)	FWHM	1000 sin^2θ	a^2	hkl
(1) HL^1	6.872	12.96	1572	6.8255	0.1191	0.0214	0.2121	12.737	46.586	100
(2) [Ag(HL^1)2](NO3)	5.585	10.92	222	8.0956	0.1737	0.0153	0.2605	9.054	65.536	100
(3) HL^2	6.460	14.60	298	6.0623	0.1470	0.0272	0.2216	16.145	36.752	100
(4) [Ag(HL^2)2](NO3)	5.880	26.68	384	3.3385	0.0682	0.0897	0.2531	53.236	11.146	331
(5) HL^3	2.842	14.12	570	6.2673	0.2650	0.0255	0.5134	15.107	39.277	100
(6) [Ag(HL^3)2](NO3)2H2O	2.561	38.02	254	2.3648	0.1105	0.1788	0.5982	106.102	5.593	100
(7) HL^4	1.980	27.65	2086	3.2236	0.1954	0.0962	0.7532	57.101	10.391	100
(8) [Ag(HL^4)2](NO3)	4.604	28.08	172	3.1752	0.0829	0.0992	0.3242	58.85	10.083	311