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Crystal structure of 1-methylimidazole 3-oxide monohydrate.

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Title: Crystal structure of 1-methylimidazole 3-oxide monohydrate.
Authors: Frampton, CS
Murray, JI
Spivey, AC
Item Type: Journal Article
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.
Issue Date: 8-Feb-2017
Date of Acceptance: 8-Feb-2017
URI: http://hdl.handle.net/10044/1/49192
DOI: https://dx.doi.org/10.1107/S2056989017002079
ISSN: 2056-9890
Publisher: International Union of Crystallography
Start Page: 372
End Page: 374
Journal / Book Title: Acta Crystallographica Section E: Crystallographic Communications
Volume: 73
Issue: 3
Copyright Statement: © 2017 The Author(s) . This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence (https://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
Keywords: 1-methyl-2H-imidazole 3-N-oxide
aryl N-oxides
catalysis
crystal structure
hydrate
hydrogen bonding
Publication Status: Published
Conference Place: England
Appears in Collections:Chemistry
Faculty of Natural Sciences



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