Dataset Information
Crystal structure of 1-methylimidazole 3-oxide monohydrate.
Ontology highlight
ABSTRACT:
SUBMITTER: Frampton CS
PROVIDER: S-EPMC5347057 | biostudies-literature | 2017 Mar
REPOSITORIES: biostudies-literature
Publications
Crystal structure of 1-methylimidazole 3-oxide monohydrate.
Acta crystallographica. Section E, Crystallographic communications 20170214 Pt 3
1-Methylimidazole 3-<i>N</i>-oxide (NMI-O) crystallizes as a monohydrate, C<sub>4</sub>H<sub>6</sub>N<sub>2</sub>O·H<sub>2</sub>O, in the monoclinic space group <i>P</i>2<sub>1</sub> with <i>Z</i>' = 2 (mol-ecules <i>A</i> and <i>B</i>). 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(<i>A</i>)⋯OH<sub>2</sub>⋯NMI-O(<i>B</i>)⋯OH<sub>2</sub>⋯ units by O-H⋯O hydrogen bonds. These c ...[more]