Synthesis, Crystal Structures, and Antimicrobial and Antitumor Studies of Two Zinc(II) Complexes with Pyridine Thiazole Derivatives

Table 1

Crystallographic data and structure refinement summary for ligand L2 and complexes 1-2.

	L2	1	2
Empirical formula	C14H11N5S	C42H36N10O6S4Zn	C20H26Br3N7O2SZn
Mw	281.34	970.44	733.64
Crystal system	Monoclinic	Monoclinic	Monoclinic
a (Å)	8.5684(5)	17.614(2)	8.3543(5)
b (Å)	11.3512(6)	20.6571(13)	20.0129(13)
c (Å)	13.5596(8)	17.620(2)	16.2751(11)
α (°)	90	90	90
β (°)	107.149(6)	112.260(15)	94.611(6)
γ (°)	90	90	90
(Å^3)	1260.19(13)	5933.2(12)	2712.3(3)
Space group	P21/n	P21/c	P21/n
Density (g·cm^−3)	1.483	1.046	1.797
Z	4	4	4
μ (mm^−1)	2.254	0.597	5.433
Temperature (K)	100	100	100
F(000)	584	1857	1448
Crystal size (mm^3)	0.12 × 0.1 × 0.08	0.12 × 0.11 × 0.08	0.12 × 0.11 × 0.1
Radiation	(Cu-Kα) 1.54184	(Mo-Kα) 0.71073	(Mo-Kα) 0.71073
Index ranges	−10 ≤ h ≤ 8, −13 ≤ k ≤ 9, −16 ≤ l ≤ 16	−24 ≤ h ≤ 22, −28 ≤ k ≤ 22, −23 ≤ l ≤ 24	−10 ≤ h ≤ 11, −25 ≤ k ≤ 26, −21 ≤ l ≤ 11
θ range for data collection (°)	5.1730–72.8960	2.2960–23.1730	2.7030–26.5730
Goodness-of-fit on F^2	1.028	1.025	1.047
Reflections collected	4756	33034	14560
Independent reflections	2468 [Rint = 0.0399, Rsigma = 0.0544]	14148 [Rint = 0.1101, Rsigma = 0.2110]	6500 [Rint = 0.0455, Rsigma = 0.0794]
Final R indexes [I ≥ 2σ(I)] R1, ωR2	0.0430, 0.0985	0.1018, 0.2400	0.0571, 0.1240
Final R indexes [all data] R1, ωR2	0.0578, 0.1063	0.1860, 0.2872	0.0897, 0.1391
Data/restraints/parameters	2468/0/181	14148/85/498	6500/101/398
Largest diff. peak/hole (e Å^−3)	0.685/−0.490	1.691/−2.571	0.86/−1.72