Table 2.

Theoretical geometric parameters (bond lengths and bond angles) for copper (II) based pefloxacin complexes

HPf		[Cu(Pf)2(H2O)2].3H2O		[Cu(HPf)(bipy)(NO3)]NO3.2H2O		[Cu(HPf)(phen)(NO3)]NO3.2H2O
(a) Bond Length (Å)
C15-O20	1.246	Cu1-O1	2.369	Cu1-O2	2.145	Cu1-O3	2.249
C15-O21	1.365	Cu1-O2	1.958	Cu1-O4	1.908	Cu1-O4	1.993
O21-H44	1.016	Cu1-O3	1.955	Cu1-O5	1.927	Cu1-O5	1.944
C2-O22	1.660	Cu1-O4	2.004	Cu1-N1	2.002	Cu1-N1	2.0185
C18-N5	1.495	Cu1-O5	1.946	Cu1-N6	2.010	Cu1-N2	2.066
C7-F24	1.407	Cu1-O8	2.425	C26-O4	1.337	C14-N5	1.428
C8-N13	1.397	C17-F2	1.409	C9-O5	1.310	N4-C21	1.500
C23-N17	1.473	C14-F1	1.406	C13-F1	1.404	O6-C20	1.254
O22–-H44	1.660	O5–-H41	2.627	N3-C14	1.501	C13-F1	1.430
		O2–-H1	2.712
(b) Bond Angle (o)
O1-C13-O2	122.39	O1-Cu1-O2	73.46	O2-Cu1-O4	92.53	O3-Cu1-O4	87.84
C13-O2-H20	110.87	O1-Cu1-O3	109.49	O2-Cu1-O5	102.56	O3-Cu1-O5	110.34
C12-N1-C15	121.50	O1-Cu1-O4	86.91	O2-Cu1-N1	95.88	O3-Cu1-N1	97.22
C11-N3-C17	112.98	O1-Cu1-O5	109.02	O2-Cu1-N6	87.43	O3-Cu1-N2	90.04
C5-C6-F1	117.72	O1-Cu1-O8	174.30	N1-Cu1-N6	81.54	O4-Cu1-O5	91.68
C7-N2-C10	119.66	O2-Cu1-O3	91.06	N1-Cu1-O4	93.57	O4-Cu1-N1	174.12
		O2-Cu1-O4	91.32	N1-Cu1-O5	167.52	O4-Cu1-N2	95.69
		O2-Cu1-O5	177.12	N6-Cu1-O4	167.51	O5-Cu1-N1	89.34
		O2-Cu1-O8	102.45	N6-Cu1-O5	93.65	O5-Cu1-N2	158.58
		O3-Cu1-O4	163.41	O4-Cu1-O5	93.34	N1-Cu1-N2	81.39
		O3-Cu1-O5	86.73
		O3-Cu1-O8	66.21
		O4-Cu1-O5	90.27
		O4-Cu1-O8	97.25
		O5-Cu1-O8	74.96