Cargando…
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...
Autor principal: | |
---|---|
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 |
_version_ | 1782190051061399552 |
---|---|
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. |
format | Text |
id | pubmed-2969054 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |