Synthesis, Characterization, and Bioactivity of Schiff Bases and Their Cd^𝟐+, Zn^𝟐+, Cu^𝟐+, and Ni^𝟐+ Complexes Derived from Chloroacetophenone Isomers with S-Benzyldithiocarbazate and the X-Ray Crystal Structure of S-Benzyl-β-N-(4-chlorophenyl)methylenedithiocarbazate

Table 1

Crystallographic data and structure refinement details of NS4.

Empirical formula	C16H15ClN2S2
Formula weight	334.89
Temperature (K)	150
Crystal class	Triclinic
Space group	P-1
Unit cell dimensions
𝑎 (Å)	6.2206(7)
𝑏 (Å)	9.7222(10)
𝑐 (Å)	13.5943(14)
𝛼 (°)	89.729(8)
𝛽 (°)	101.960(9)
𝛾 (°)	97.447(9)
Volume (Å^3)	797.32(15)
𝑍	2
𝜌calc (g cm^−3)	1.39
Radiation type	Cu Kα
Wavelength (Å)	1.5418
Crystal size (mm)	0.06 × 0.08 × 0.18
𝜃 Range for data collection (°)	3–72
Reflections measured/independent	7883/2834 (𝑅int = 0.0327)
𝜃max	71.6937
Limiting indices	−7≤ℎ≤7
	−11≤𝑘≤11
	−16≤𝑙≤16
Refinement on	𝐹
𝑅-factor	0.066
𝑅𝑤-factor	0.178
Goodness of fit (S)	0.97
Minimum and maximum residual electron density (eÅ^−3)	−0.45 and 0.80
Reflections used	2821
Number of parameters	190