Novel Nonsymmetrically p-Benzyl-Substituted (Benz)imidazole N-Heterocyclic Carbene-Silver(I) Acetate Complexes: Synthesis and Biological Evaluation

Table 1

Crystal data and structure refinement for 4b.

	4b
Empirical formula	C25 H22 N3 O2 Ag
Formula weight [g/mol]	504.33
Crystal system	Monoclinic
Space group	P21/n (#14)
Unit cell dimensions [Å] a	7.6287(2)
b	12.4073(3)
c	23.0001(6)
β	94.496(3)°
Volume [Å^3]	2170.30(10)
Z	4
Density [mg/m^3] (calc.)	1.543
Absorption coefficient [mm^−1]	0.956
F(000)	1024
Crystal size [mm^3]	0.2663 × 0.1227 × 0.1080
Theta range for data collection	3.32 to 26.42°.
Index ranges	–9 ≤ h≤ 9
	–15 ≤ k ≤ 15
	–28 ≤ l ≤ 28
Reflections collected	35074
Independent reflections	4454 [R(int) = 0.0421]
Completeness to 𝜃max	99.6%
Max. and min. transmission	0.913 and 0.808
Data/restraints/parameters	4454/0/287
Goodness of fit in F^2	1.086
Final R indices (I > 2σ(I))	R1 = 0.0238
	wR2 = 0.0512
R indices (all data)	R1 = 0.0301
	wR2 = 0.0543
Largest diff. peak and hole	0.871 and 0.323 e·Å^−3