Coordination Chemistry, Antibacterial Screening, and In Silico ADME Study of Mononuclear NiII and CuII Complexes of Asymmetric Schiff Base of Streptomycin and Aniline
Table 3
Selected bond lengths, bond angles, and energy parameters of metal complexes.
Complex
Atoms
Bond length (Å)
Atoms
Bond angle (°)
Optimized energy (Kcal/mol)
Complex 4
O (77)-Ni (76) O (80)-Ni (76) N (66)-Ni (76) N (37)-Ni (76) N (39)-Ni (76) N (68)-Ni (76) C (61)-N (68) C (32)-N (39)
1.851 1.861 1.332 1.307 1.887 1.895 1.286 1.281
O (77)-Ni (76)-O (80) O (77)-Ni (76)-N (66) O (77)-Ni (76)-N (37) O (77)-Ni (76)-N (39) O (77)-Ni (76)-N (68) O (80)-Ni (76)-N (66) O (80)-Ni (76)-N (37) O (80)-Ni (76)-N (39) O (80)-Ni (76)-N (68) N (66)-Ni (76)-N (37) N (66)-Ni (76)-N (39) N (66)-Ni (76)-N (68) N (37)-Ni (76)-N (39) N (37)-Ni (76)-N (68) N (39)-Ni (76)-N (68) Ni (76)-N (68)-C (69) Ni (76)-N (68)-C (61) Ni (76)-N (66)-C (75) Ni (76)-N (66)-C (59) Ni (76)-N (39)-C (40) Ni (76)-N (39)-C (32) Ni (76)-N (37)-C (46) Ni (76)-N (37)-C (30)
N (66)-Cu (76) N (37)-Cu (76) N (39)-Cu (76) N (68)-Cu (76) C (61)-N (68) C (32)-N (39)
1.869 1.920 1.328 1.380 1.291 1.270
N (66)-Cu (76)-N (37) N (66)-Cu (76)-N (39) N (66)-Cu (76)-N (68) N (37)-Cu (76)-N (39) N (37)-Cu (76)-N (68) N (39)-Cu (76)-N (68) Cu (76)-N (68)-C (69) Cu (76)-N (68)-C (61) Cu (76)-N (66)-C (75) Cu (76)-N (66)-C (59)