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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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Autor principal: Hossain, G. M. Golzar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
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
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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