Title of article :
Crystal structure of 1-methylimidazole 3-oxide monohydrate
Author/Authors :
Frampton, Christopher S. Wolfson Centre for Materials Processing - Brunel University London, UK , Murray, James I. Department of Chemistry - South Kensington Campus, UK , Spivey, Alan C. Department of Chemistry - South Kensington Campus, UK
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 :
hydrogen bonding , hydrate , crystal structure , catalysis , 1-methyl-2H-imidazole 3-N-oxide , aryl N-oxides
Journal title :
Acta Crystallographica Section E: Crystallographic Communications
