Antineoplastic Activity of New Transition Metal Complexes of 6-Methylpyridine-2-carbaldehyde-N(4)-ethylthiosemicarbazone: X-Ray Crystal Structures of [VO2(mpETSC)] and [Pt(mpETSC)Cl]

Table 1

Crystal data and structure refinement for VO₂(mpETSC) and Pt(mpETSC)Cl.

	[VO2(mpETSC)]	[Pt(mpETSC)Cl]
Empirical formula	C10H13N4 O2SV	C10H13ClN4PtS
Formula weight	304.24	451.84
Temperature	200 K	150 K
Wavelength	1.54178 Å	1.54178 Å
Crystal system	Monoclinic	Monoclinic
Space group	P21/c	P21/n
Unit cell dimensions
a(Å), $\alpha$ (${}^{°}$)	8.5583(2), 90^o	12.9824(2), 90
b(Å), $\beta$ (${}^{°}$)	13.4934(3), 03.679($1$)^o	b = 7.0655($1$). 94.454($1$)^0
c(Å), $\gamma$ (${}^{°}$)	11.2697(3), 90^o	c = 13.6601(2), 90
Volume (Å^3)	1264.52(5) (Å^3)	1249.22(3) (Å^3)
Z, Density (calculated) g/cm^3	4; 1.598 g/cm^3	4; 2.402 g/cm^3
Absorption coefficient	8.122 mm^-1	24.402 mm^-1
F(000)	624	848
Crystal size	0.26 × 0.10 × 0.06 mm	0.12 × 0.08 × 0.02 mm
Theta range for data collection (°)	5.20 to 72.30${}^{°}$	4.53 to 72.13
Index ranges	−10 ≤ h ≤ 10, −16 ≤ h ≤16, $-13\le l\le 13$	$-15\le h\le 15\text{,}$$-8\le k\le 8\text{,}$$-16\le l\le 16$
Reflections collected	16371	15858
Independent reflections	2468 [R${}_{\mathrm{int}\hspace{0.17em}}$ = 0.033]	2442 [R${}_{\mathrm{int}\hspace{0.17em}}$ = 0.045]
Absorption correction	Semi-empirical from equivalents	Semi-empirical from equivalents
Max. and min. transmission	0.6143 and 0.3013	0.6138 and 0.3359
Refinement method	Full-matrix least-squares on F^2	Full-matrix least-squares on F^2
Data/restraints/parameters	2468/0/169	2442/0/157
Goodness-of-fit on F^2	1.150	1.065
Final R indices [I>2sigma(I)]	R1 = 0.0318, wR2 = 0.0881	R1 = 0.0277, wR2 = 0.0951
R indices (all data)	R1 = 0.0326, wR2 = 0.0887	R1 = 0.0307, wR2 = 0.0993
Extinction coefficient		0.00036(6)
Largest diff. peak and hole	0.414 and −0.711 e/Å^3	1.579 and −1.242 e/Å^3