Synthesis, Characterization, and Antibacterial and Anti-Inflammatory Activities of New Pyrimidine and Thiophene Derivatives

Table 1

Experimental detail of the crystalline structures of 4c and 7e.

Crystal data	4c	7e
Chemical formula	C15H19BrN2OS	C21H17N3S
Molecular weight	355.29	343.44
Crystal system, space group	Triclinic, P − 1	Triclinic, P − 1
Temperature (K)	293	293
a, b, c (Å)	5.7305 (7), 9.0388 (13), 15.825 (2)	6.6424 (6), 11.5386 (10), 11.5868 (10)
α, β, γ (°)	97.214 (5), 97.557 (5), 90.726 (5)	98.088 (3), 93.063 (3), 98.051 (3)
V (Å^3)	805.76 (18)	868.13 (13)
Z	2	2
Radiation type	Mo Kα	Mo Kα
µ (mm^−1)	2.68	0.19
Crystal size (mm)	0.55 × 0.42 × 0.04	0.4 × 0.29 × 0.1
Data collection
Diffractometer	Bruker APEX-II D8 venture diffractometer	Bruker APEX-II D8 venture diffractometer
Absorption correction	Multiscan SADABS Bruker 2014	Multiscan SADABS Bruker 2014
Tmin, Tmax	0.893, 0.921	0.927, 0.982
Number of measured, independent, and observed [I > 2σ(I)] reflections	16032, 3700, and 1871	33436, 3412, and 2377
Rint	0.152	0.103
Refinement
R[F^2 > 2σ(F^2)], wR(F^2), S	0.114, 0.341, 1.66	0.066, 0.201, 1.08
Number of reflections	3700	3412
Number of parameters	176	226
Number of restraints	0	1
Δρmax, Δρmin (e Å^−3)	1.37, −1.74	0.34, −0.33
CCDC number	1823351	1534088