Crystal structure of 1-methylimidazole 3-oxide monohydrate

Abstract

1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z′ = 2 (molecules A and B). The imidazole rings display a planar geometry (r.m.s. deviations = 0.0008 and 0.0002 Å) and are linked in the crystal structure into infinite zigzag strands of ...NMI-O(A)...OH2...NMI-O(B)...OH2... units by O—H...O hydrogen bonds. These chains propagate along the b-axis direction of the unit cell.

Keywords

• crystal structure
• catalysis
• aryl N-oxides
• 1-methyl-2H-imidazole 3-N-oxide
• hydrate
• hydrogen bonding