Coordination Chemistry, Antibacterial Screening, and In Silico ADME Study of Mononuclear Ni^II and Cu^II Complexes of Asymmetric Schiff Base of Streptomycin and Aniline

Table 2

Crystal data of ligand (3) and complexes (4) and (5).

No.	Pos. [°2θ]	FWHM [°2θ]	d-spacing (Å)	Crystallite size (nm)	Dislocation density x 10^−3	Microstrain × 10^−3	Crystallinity (%)
Ligand (3)
1	12.30399	0.6741	7.187889047	11.85329233	7.11741041	27.2881996	40.9695
2	15.4787	0.66053	5.720046042	12.1377064	6.787764155	21.20681317
3	19.75461	1.47062	4.490527095	5.483276532	33.2598053	36.85273177
4	22.29616	0.79582	3.98406262	10.17450508	9.659917424	17.62079005
5	23.88044	3.12614	3.723216215	2.597443745	148.2203038	64.50369908
6	29.95229	1.27797	2.980842646	6.434905725	24.1499159	20.84535886
7	31.6725	0.66204	2.822759743	12.47312221	6.427611885	10.18383259
8	33.85303	0.6926	2.645761149	11.98964513	6.95644478	9.930173115
9	38.37317	0.66932	2.343862736	12.5672636	6.331674073	8.392743758
10	44.64285	0.62174	2.028161493	13.81251239	5.241488518	6.607579026
11	65.01222	0.48709	1.433410844	19.33953992	2.673669512	3.335316571
			Average crystallite size	10.80574664
Complex (4)
1	15.68908	0.6622	5.643814342	12.11013835	6.818703253	20.97182031	48.26636
2	19.15657	0.66244	4.62934461	12.16201431	6.760658202	17.12878329
3	20.09317	0.80305	4.415621485	10.04669922	9.907251754	19.77793527
4	22.60666	0.89633	3.930039146	9.038445974	12.24087511	19.56661157
5	28.02882	0.67538	3.180876989	12.12355449	6.803620208	11.80672423
6	29.44258	0.92938	3.031276751	8.838068674	12.80221912	15.43407942
7	30.53251	0.49503	2.925505563	16.63510466	3.613673616	7.913851643
8	32.12735	0.63034	2.783826403	13.11526948	5.813605569	9.551628989
9	33.9647	0.62605	2.637317333	13.26810257	5.680445003	8.944706249
10	38.5021	0.56194	2.336310083	14.97458933	4.459540973	7.020823841
11	44.64861	0.62393	2.027913219	13.76431442	5.278260623	6.629904843
12	65.28377	0.5704	1.428103966	16.53991794	3.655386462	3.885429101
			Average crystallite size	12.71801828
Complex (5)
1	15.45254	0.58949	5.729670737	13.60001133	5.406565384	18.95845355	52.7245
2	19.72787	1.02358	4.496553373	7.87773181	16.11378693	25.68568043
3	22.29496	0.75955	3.984274344	10.66033563	8.799505029	16.81863984
4	24.87372	1.11216	3.576741784	7.314765809	18.68956303	22.00390067
5	27.70859	0.48612	3.216906851	16.83191598	3.529660143	8.600376122
6	29.35107	0.71351	3.040519033	11.50958473	7.548848179	11.88777525
7	30.20031	0.51968	2.956924934	15.83358953	3.988790581	8.403755935
8	31.46701	0.63934	2.840723072	12.90943919	6.000469705	9.902253407
9	33.93973	1.01346	2.639200516	8.195629902	14.88796446	14.49114036
10	40.77191	0.74064	2.211330767	11.4429506	7.637020455	8.696173563
11	44.64942	0.56001	2.027878311	15.33542905	4.252145704	5.95056869
			Average crystallite size	11.956