The Syntheses and Crystal Structures of Metronidazole-derived Compounds

Abstract

Metronidazole (MET-OH), widely used as an antibacterial agent, is found to have some side effects on human bodies. Due to these disadvantages, people have been looking for its modification compounds for substituents. In this article, four MET-OH derivatives were designed, prepared, and structurally characterized by single crystal X-ray diffraction. These compounds are MET-OTs (1), MET-Br (2), MET-Cl (3), and MET-I (4). X-ray structure analyses revealed that, 1 crystallized in the monoclinic system with space group P2 1 /c, with a = 16.1178, b = 7.5473, c = 13.4161 A, V = 1520.3 A3, β = 111.3210o and Z = 4. 2 crystallized in the monoclinic system with space group P2 1 /c, with a = 12.079, b = 11.089, c = 6.380 A, V = 847.1 A3, β = 97.57o and Z = 4. 3 crystallized in the monoclinic system with space group P2 1 /c, with a = 12.098, b = 11.007, c = 6.295 A, V = 830.3 A3, β = 97.886o and Z = 4. 4 crystallized in the triclinic system with space group P1, with a = 6.192, b = 7.740, c = 10.001 A, V = 457.9 A3, α = 89.073, β = 86.903, γ = 73.097o and Z = 2. In this article, metronidazole-derived compounds were prepared and structurally characterized by single crystal X-ray diffraction