Crystal Structure and Molecular Mechanics Modelling of 2-(4-Amino-3-benzyl-2-thioxo-2,3-dihydrothiazol-5-yl)benzoxazole

Table 1

Crystal data of the title compound.

Crystal Data
Chemical formula, 𝑀𝑟	C17H12N3OS2, 339.44
Crystal system, space group	Triclinic, P1
𝑎, 𝑏, 𝑐 (Å)	5.174(3), 6.411(6), 12.369(1)
𝛼, 𝛽, 𝛾 (°)	86.021(4), 84.384(5), 77.191(5)
𝑉 (Å^3), 𝐷𝑥 (mg m^−3), 𝑍	397.68(5), 1.417, 1
𝜇 (mm^−1), Temperature	0.34 mm^−1, 298
𝜃 (°), 𝐹(000)	3–27, 176
Refinement
𝑅[𝐹^2>2𝜎(𝐹^2)], 𝑤𝑅(𝐹^2), 𝑆	0.030, 0.073, 1
Number of reflections, parameters, and restraints	1644, 209, 0
Δ𝜌max, Δ𝜌min (e Å^−3)	0.15, −0.14
Absolute structure parameter (Flack)	0.53(2)