Crystal structure of 1-methylimidazole 3-oxide monohydrate

1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C(4)H(6)N(2)O·H(2)O, in the monoclinic space group P2(1) 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...

Descripción completa

Detalles Bibliográficos
Autores principales: Frampton, Christopher S., Murray, James I., Spivey, Alan C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347057/
https://www.ncbi.nlm.nih.gov/pubmed/28316812
http://dx.doi.org/10.1107/S2056989017002079
_version_ 1782513998284980224
author Frampton, Christopher S.
Murray, James I.
Spivey, Alan C.
author_facet Frampton, Christopher S.
Murray, James I.
Spivey, Alan C.
author_sort Frampton, Christopher S.
collection PubMed
description 1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C(4)H(6)N(2)O·H(2)O, in the monoclinic space group P2(1) 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)⋯OH(2)⋯NMI-O(B)⋯OH(2)⋯ units by O—H⋯O hydrogen bonds. These chains propagate along the b-axis direction of the unit cell.
format Online
Article
Text
id pubmed-5347057
institution National Center for Biotechnology Information
language English
publishDate 2017
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-53470572017-03-17 Crystal structure of 1-methylimidazole 3-oxide monohydrate Frampton, Christopher S. Murray, James I. Spivey, Alan C. Acta Crystallogr E Crystallogr Commun Research Communications 1-Methylimidazole 3-N-oxide (NMI-O) crystallizes as a monohydrate, C(4)H(6)N(2)O·H(2)O, in the monoclinic space group P2(1) 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)⋯OH(2)⋯NMI-O(B)⋯OH(2)⋯ units by O—H⋯O hydrogen bonds. These chains propagate along the b-axis direction of the unit cell. International Union of Crystallography 2017-02-14 /pmc/articles/PMC5347057/ /pubmed/28316812 http://dx.doi.org/10.1107/S2056989017002079 Text en © Frampton et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Frampton, Christopher S.
Murray, James I.
Spivey, Alan C.
Crystal structure of 1-methylimidazole 3-oxide monohydrate
title Crystal structure of 1-methylimidazole 3-oxide monohydrate
title_full Crystal structure of 1-methylimidazole 3-oxide monohydrate
title_fullStr Crystal structure of 1-methylimidazole 3-oxide monohydrate
title_full_unstemmed Crystal structure of 1-methylimidazole 3-oxide monohydrate
title_short Crystal structure of 1-methylimidazole 3-oxide monohydrate
title_sort crystal structure of 1-methylimidazole 3-oxide monohydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347057/
https://www.ncbi.nlm.nih.gov/pubmed/28316812
http://dx.doi.org/10.1107/S2056989017002079
work_keys_str_mv AT framptonchristophers crystalstructureof1methylimidazole3oxidemonohydrate
AT murrayjamesi crystalstructureof1methylimidazole3oxidemonohydrate
AT spiveyalanc crystalstructureof1methylimidazole3oxidemonohydrate

Ejemplares similares