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 (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.

SUBMITTER: Frampton CS 

PROVIDER: S-EPMC5347057 | biostudies-literature | 2017 Mar

REPOSITORIES: biostudies-literature