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Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetrafluoridoborate methanol monosolvate
1-(2-Hydroxyethyl)-2-methyl-5-nitro-1H-imidazole (metronidazole, MET) is a medication that is used to treat infections by a variety of anaerobic organisms, but there are relatively few reports of the structures of metal compounds that exhibit coordination of metronidazole. We have demonstrated th...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350687/ https://www.ncbi.nlm.nih.gov/pubmed/25844189 http://dx.doi.org/10.1107/S2056989015002819 |
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author | Palmer, Joshua H. Upmacis, Rita K. |
author_facet | Palmer, Joshua H. Upmacis, Rita K. |
author_sort | Palmer, Joshua H. |
collection | PubMed |
description | 1-(2-Hydroxyethyl)-2-methyl-5-nitro-1H-imidazole (metronidazole, MET) is a medication that is used to treat infections by a variety of anaerobic organisms, but there are relatively few reports of the structures of metal compounds that exhibit coordination of metronidazole. We have demonstrated that MET reacts with AgBF(4) to give [Ag(MET)(2)]BF(4)·CH(3)OH, in which the Ag(I) cation is coordinated by two MET ligands with a trans arrangement. The structure of [Ag(MET)(2)]BF(4) exhibits some interesting differences from its nitrate counterpart, [Ag(MET)(2)]NO(3) [Fun et al. (2008). Acta Cryst. E64, m668]. For instance, although the two MET ligands of both [Ag(MET)(2)]BF(4) and [Ag(MET)(2)]NO(3) are almost coplanar, the former compound has an anti-like geometry with a molecular inversion center, but the latter has a syn-like arrangement. In the crystal, the BF(4) (−) anion is linked by an O—H⋯F hydrogen bond to the methanol solvent molecule, which is, in turn, linked to the cation by an O—H⋯O hydrogen bond; the components of the structure are linked by O—H⋯O hydrogen bonds, forming chains along [001]. One of the MET ligands and the BF(4) (−) anion are disordered over two sets of sites with ratios of refined occupancies 0.501 (17):0.499 (17) and 0.539 (19):0.461 (19), respectively. |
format | Online Article Text |
id | pubmed-4350687 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43506872015-04-03 Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetrafluoridoborate methanol monosolvate Palmer, Joshua H. Upmacis, Rita K. Acta Crystallogr E Crystallogr Commun Research Communications 1-(2-Hydroxyethyl)-2-methyl-5-nitro-1H-imidazole (metronidazole, MET) is a medication that is used to treat infections by a variety of anaerobic organisms, but there are relatively few reports of the structures of metal compounds that exhibit coordination of metronidazole. We have demonstrated that MET reacts with AgBF(4) to give [Ag(MET)(2)]BF(4)·CH(3)OH, in which the Ag(I) cation is coordinated by two MET ligands with a trans arrangement. The structure of [Ag(MET)(2)]BF(4) exhibits some interesting differences from its nitrate counterpart, [Ag(MET)(2)]NO(3) [Fun et al. (2008). Acta Cryst. E64, m668]. For instance, although the two MET ligands of both [Ag(MET)(2)]BF(4) and [Ag(MET)(2)]NO(3) are almost coplanar, the former compound has an anti-like geometry with a molecular inversion center, but the latter has a syn-like arrangement. In the crystal, the BF(4) (−) anion is linked by an O—H⋯F hydrogen bond to the methanol solvent molecule, which is, in turn, linked to the cation by an O—H⋯O hydrogen bond; the components of the structure are linked by O—H⋯O hydrogen bonds, forming chains along [001]. One of the MET ligands and the BF(4) (−) anion are disordered over two sets of sites with ratios of refined occupancies 0.501 (17):0.499 (17) and 0.539 (19):0.461 (19), respectively. International Union of Crystallography 2015-02-21 /pmc/articles/PMC4350687/ /pubmed/25844189 http://dx.doi.org/10.1107/S2056989015002819 Text en © Palmer and Upmacis 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Palmer, Joshua H. Upmacis, Rita K. Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN (3)]silver(I) tetrafluoridoborate methanol monosolvate |
title | Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN
(3)]silver(I) tetrafluoridoborate methanol monosolvate |
title_full | Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN
(3)]silver(I) tetrafluoridoborate methanol monosolvate |
title_fullStr | Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN
(3)]silver(I) tetrafluoridoborate methanol monosolvate |
title_full_unstemmed | Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN
(3)]silver(I) tetrafluoridoborate methanol monosolvate |
title_short | Crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1H-imidazole-κN
(3)]silver(I) tetrafluoridoborate methanol monosolvate |
title_sort | crystal structure of bis[1-(2-hydroxyethyl)-2-methyl-5-nitro-1h-imidazole-κn
(3)]silver(i) tetrafluoridoborate methanol monosolvate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350687/ https://www.ncbi.nlm.nih.gov/pubmed/25844189 http://dx.doi.org/10.1107/S2056989015002819 |
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