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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...

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Autores principales: Showrilu, K., Rajarajan, K., NizamMohideen, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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.
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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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