The syntheses and crystal structures of metronidazole-derived compounds

Article abstract of DOI:10.1007/s10870-008-9343-9

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 = 111.3210^o 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 = 97.57^o 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 = 97.886^o 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 = 73.097 ^o and Z = 2. In this article, metronidazole-derived compounds were prepared and structurally characterized by single crystal X-ray diffraction [Figure not available: see fulltext.]