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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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Autores principales: Palmer, Joshua H., Upmacis, Rita K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
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.
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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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