Metal Complexes of a Novel Schiff Base Based on Penicillin: Characterization, Molecular Modeling, and Antibacterial Activity Study

Table 3

X-ray powder diffraction data of copper complex (1c).

Peak number	2θ	θ							% int.	in nm
1	7.2685	3.63425	0.06338	0.004017	1	0 0 1	12.16238	0.2244	16.00	61.22
2	13.7483	6.87415	0.11968	0.014323	1	0 1 0	6.44119	0.6731	21.90	20.37
3	15.9738	7.9869	0.13894	0.019304	2	1 1 0	5.54843	0.0935	100.00	146.64
4	16.3780	8.189	0.14243	0.020286	10	1 0 −3	5.41242	0.1496	42.23	91.65
5	21.1607	10.58035	0.18361	0.033712	9	1 2 2	4.19868	0.2244	6.47	61.102
6	22.2011	11.10055	0.19253	0.03706	11	1 −1 −3	4.00421	0.2244	33. 02	61.102
7	23.5966	11.7983	0.20446	0.041803	1	1 0 0	3.77046	0.1870	28.72	73.323
8	26.0686	13.0343	0.22553	0.050863	6	1 1 2	3.41826	0.1309	44.73	104.747
9	27.7288	13.8644	0.23962	0.057417	4	0 2 0	3.21726	0.1496	38.35	91.654
10	28.4032	14.2016	0.24533	0.060186	10	1 3 0	3.14240	0.1496	42.24	91.654
11	32.3941	16.19705	0.27894	0.077807	20	2 0	2.76379	0.1122	70.54	122.205
12	33.2184	16.6092	0.28584	0.081704	40	2 0	2.69707	0.2057	91.73	66.657
13	34.5584	17.2792	0.29702	0.088220	13	2 0 −3	2.59550	0.2244	13.44	61.103
14	35.6718	17.8359	0.30629	0.093813	2	1 0	2.51700	0.2244	8.91	61.103
15	37.2666	18.6333	0.31951	0.102086	20	2 4 0	2.41287	0.3739	7.05	36.671
16	40.3520	20.176	0.34490	0.11895	80	0 4 8	2.23521	0.2617	23.89	52.394
17	43.0415	21.52075	0.36683	0.13456	9	1 −2 −2	2.10157	0.4487	11.08	30.5585
18	44.3550	22.1775	0.37747	0.14248	30	2 5 1	2.04234	0.2244	11.90	61.103
19	45.3976	22.6988	0.38588	0.14890	69	2 1	1.99783	0.2244	15.90	61.103
20	47.7559	23.87795	0.40478	0.16384	25	3 4 0	1.90454	0.1870	16.97	73.324
21	48.6714	24.3357	0.41211	0.16983	58	3 0	1.87083	0.2991	5.79	45.843
22	49.3094	24.6547	0.41714	0.174	18	3 3 0	1.84658	0.2736	7.79	50.116
							Average particle size			69.3474