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Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate
The asymmetric unit of the title hydrated salt, (C(10)H(18)N(8)S(2))(2)[BiCl(6)]NO(3)·2H(2)O, contains two independent 3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium cations, one hexachloridobismuthate anion, one nitrate anio...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2013
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772431/ https://www.ncbi.nlm.nih.gov/pubmed/24046574 http://dx.doi.org/10.1107/S1600536813016449 |
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author | Hossain, G. M. Golzar |
author_facet | Hossain, G. M. Golzar |
author_sort | Hossain, G. M. Golzar |
collection | PubMed |
description | The asymmetric unit of the title hydrated salt, (C(10)H(18)N(8)S(2))(2)[BiCl(6)]NO(3)·2H(2)O, contains two independent 3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium cations, one hexachloridobismuthate anion, one nitrate anion and two solvent water molecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7 (3) and 89.4 (3)°. The Bi(III) ion is coordinated by six chloride ligands in a slightly distorted octahedral geometry. In each cation, an intramolecular N—H⋯S hydrogen bond is observed. In the crystal, N—H⋯Cl, N—H⋯S, N—H⋯O, O—H⋯Cl, O—H⋯S and O—H⋯O hydrogen bonds connect the components into a three-dimensional network. In addtion, π–π stacking interactions between inversion-related triazole rings are observed, with a centroid–centroid distance of 3.322 (3) Å |
format | Online Article Text |
id | pubmed-3772431 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37724312013-09-17 Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate Hossain, G. M. Golzar Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The asymmetric unit of the title hydrated salt, (C(10)H(18)N(8)S(2))(2)[BiCl(6)]NO(3)·2H(2)O, contains two independent 3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium cations, one hexachloridobismuthate anion, one nitrate anion and two solvent water molecules. The dihedral angles between the imidazole and triazole rings in the cations are 44.7 (3) and 89.4 (3)°. The Bi(III) ion is coordinated by six chloride ligands in a slightly distorted octahedral geometry. In each cation, an intramolecular N—H⋯S hydrogen bond is observed. In the crystal, N—H⋯Cl, N—H⋯S, N—H⋯O, O—H⋯Cl, O—H⋯S and O—H⋯O hydrogen bonds connect the components into a three-dimensional network. In addtion, π–π stacking interactions between inversion-related triazole rings are observed, with a centroid–centroid distance of 3.322 (3) Å International Union of Crystallography 2013-06-19 /pmc/articles/PMC3772431/ /pubmed/24046574 http://dx.doi.org/10.1107/S1600536813016449 Text en © G. M. Golzar Hossain 2013 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 | Metal-Organic Papers Hossain, G. M. Golzar Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title | Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title_full | Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title_fullStr | Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title_full_unstemmed | Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title_short | Bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1H-1,2,4-triazol-4-ium} hexachloridobismuthate(III) nitrate dihydrate |
title_sort | bis{3-amino-1-carbamothioyl-5-[(2-{[(5-methyl-1h-imidazol-3-ium-4-yl)methyl]sulfanyl}ethyl)amino]-1h-1,2,4-triazol-4-ium} hexachloridobismuthate(iii) nitrate dihydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3772431/ https://www.ncbi.nlm.nih.gov/pubmed/24046574 http://dx.doi.org/10.1107/S1600536813016449 |
work_keys_str_mv | AT hossaingmgolzar bis3amino1carbamothioyl525methyl1himidazol3ium4ylmethylsulfanylethylamino1h124triazol4iumhexachloridobismuthateiiinitratedihydrate |