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Crystal structure of 1-methylimidazole 3-oxide monohydrate
Christopher S Frampton1, James I Murray2, Alan C Spivey2
1Wolfson Centre for Materials Processing, Brunel University London, Kingston Lane, Uxbridge, UB8 3PH, UK.
Abstract:
1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C4H6N2O·H2O, in the monoclinic space group P21 with Z' = 2 (mol-ecules 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.
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