Oxoperoxovanadium Complexes of Hetero Ligands: X-Ray Crystal Structure, Density Functional Theory, and Investigations on DNA/BSA Interactions, Cytotoxic, and Molecular Docking Studies

Table 1

Crystal data of complex 2.

Empirical formula	C19H16N3O5V
Formula weight	417.29
Temperature	100 K
Wavelength	1.54178
Crystal system	Triclinic
Space group	P-1
Unit cell dimensions	a = 8.0268 (2) Å
	α = 99.528 (1)°
	b = 8.5512 (2) Å
	β = 94.738 (1)°
	c = 13.2344 (4) Å
	γ = 96.148 (1)°
Volume	886.03 (4) Å^3
Z	2
Density (calculated)	1.564 g/cm^3
F (000)	428.0
Theta	79.072°.
Index ranges	h = 10, k = 10, l = 16
Reflections collected	48492
Independent reflections	(R (int) = 0.0377)
Final R indices	R1 = 0.0378 (3317); wR2 = 0.0992 (3769)