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Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1)
The title compound, (NH(4))(2)[Zn(NCS)(4)]·2C(12)H(24)O(6)·H(2)O, the result of the reaction of ammonium thiocyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supramolecular structure. The Zn atom, two of the thiocyanate chains and a water molecule, disordered ov...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793699/ https://www.ncbi.nlm.nih.gov/pubmed/24109286 http://dx.doi.org/10.1107/S1600536813019739 |
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author | Showrilu, K. Rajarajan, K. NizamMohideen, M. |
author_facet | Showrilu, K. Rajarajan, K. NizamMohideen, M. |
author_sort | Showrilu, K. |
collection | PubMed |
description | The title compound, (NH(4))(2)[Zn(NCS)(4)]·2C(12)H(24)O(6)·H(2)O, the result of the reaction of ammonium thiocyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supramolecular structure. The Zn atom, two of the thiocyanate chains and a water molecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D (3d) symmetry. The ammonium molecules are contained within the bowl of the macrocycle via extensive N—H⋯O hydrogen bonds and the complex molecules are linked via N—H⋯S hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two isothiocyanate ligands are disordered within and about the mirror plane. |
format | Online Article Text |
id | pubmed-3793699 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37936992013-10-09 Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) Showrilu, K. Rajarajan, K. NizamMohideen, M. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, (NH(4))(2)[Zn(NCS)(4)]·2C(12)H(24)O(6)·H(2)O, the result of the reaction of ammonium thiocyanate, 18-crown-6 and zinc(II) chloride in aqueous solution, exhibits an unusual supramolecular structure. The Zn atom, two of the thiocyanate chains and a water molecule, disordered over two positions, lie on a mirror plane. The macrocycle adopts a conformation with approximate D (3d) symmetry. The ammonium molecules are contained within the bowl of the macrocycle via extensive N—H⋯O hydrogen bonds and the complex molecules are linked via N—H⋯S hydrogen bonds, forming chains along the c-axis direction. The macrocycle is disordered over two positions [refined occupancy ratio = 0.666 (8):0.334 (8)]. The S atoms of two isothiocyanate ligands are disordered within and about the mirror plane. International Union of Crystallography 2013-07-24 /pmc/articles/PMC3793699/ /pubmed/24109286 http://dx.doi.org/10.1107/S1600536813019739 Text en © Showrilu et al. 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 Showrilu, K. Rajarajan, K. NizamMohideen, M. Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title | Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title_full | Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title_fullStr | Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title_full_unstemmed | Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title_short | Diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
title_sort | diammonium tetrakis(isothiocyanato)zincate–1,4,10,13,16-hexaoxacyclooctadecane–water (1/2/1) |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793699/ https://www.ncbi.nlm.nih.gov/pubmed/24109286 http://dx.doi.org/10.1107/S1600536813019739 |
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