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Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)

In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indi...

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Detalles Bibliográficos
Autor principal: Hong, Zhe
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969054/
https://www.ncbi.nlm.nih.gov/pubmed/21582361
http://dx.doi.org/10.1107/S1600536809009568
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author Hong, Zhe
author_facet Hong, Zhe
author_sort Hong, Zhe
collection PubMed
description In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenolate Schiff base ligand, and by two N atoms from two thio­cyanate ligands, forming a distorted tetra­hedral geometry. In the crystal structure, adjacent mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming a chain in the [101] direction.
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spelling pubmed-29690542010-12-30 Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II) Hong, Zhe Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenolate Schiff base ligand, and by two N atoms from two thio­cyanate ligands, forming a distorted tetra­hedral geometry. In the crystal structure, adjacent mol­ecules are linked through inter­molecular N—H⋯O hydrogen bonds, forming a chain in the [101] direction. International Union of Crystallography 2009-03-19 /pmc/articles/PMC2969054/ /pubmed/21582361 http://dx.doi.org/10.1107/S1600536809009568 Text en © Zhe Hong 2009 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
Hong, Zhe
Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title_full Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title_fullStr Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title_full_unstemmed Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title_short Redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(II)
title_sort redetermination of {2-[3-(dimethyl­ammonio)propyl­imino­meth­yl]phenol­ato}­dithio­cyanato­zinc(ii)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969054/
https://www.ncbi.nlm.nih.gov/pubmed/21582361
http://dx.doi.org/10.1107/S1600536809009568
work_keys_str_mv AT hongzhe redeterminationof23dimethylammoniopropyliminomethylphenolatodithiocyanatozincii