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Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion
The reaction of CoCl(2)·6H(2)O, N,N-bis(2-hydroxyethyl)glycine and triethylamine (Et(3)N) in ethanol solution under solvothermal conditions produced crystals of [N,N-bis(2-hydroxyethyl)glycinato]chloridocobalt(II), [Co(C(6)H(12)NO(4))Cl]. The Co(II) ion is coordinated in a slightly distort...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050777/ https://www.ncbi.nlm.nih.gov/pubmed/27746942 http://dx.doi.org/10.1107/S2056989016014596 |
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author | Zhou, Yanling Liu, Xianrong Wang, Qijun Wang, Lisheng Song, Baoling |
author_facet | Zhou, Yanling Liu, Xianrong Wang, Qijun Wang, Lisheng Song, Baoling |
author_sort | Zhou, Yanling |
collection | PubMed |
description | The reaction of CoCl(2)·6H(2)O, N,N-bis(2-hydroxyethyl)glycine and triethylamine (Et(3)N) in ethanol solution under solvothermal conditions produced crystals of [N,N-bis(2-hydroxyethyl)glycinato]chloridocobalt(II), [Co(C(6)H(12)NO(4))Cl]. The Co(II) ion is coordinated in a slightly distorted trigonal–bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O—H⋯O hydrogen bonds connect the molecules, forming a two-dimensional network parallel to (001). The molecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI–MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized. |
format | Online Article Text |
id | pubmed-5050777 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-50507772016-10-14 Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion Zhou, Yanling Liu, Xianrong Wang, Qijun Wang, Lisheng Song, Baoling Acta Crystallogr E Crystallogr Commun Research Communications The reaction of CoCl(2)·6H(2)O, N,N-bis(2-hydroxyethyl)glycine and triethylamine (Et(3)N) in ethanol solution under solvothermal conditions produced crystals of [N,N-bis(2-hydroxyethyl)glycinato]chloridocobalt(II), [Co(C(6)H(12)NO(4))Cl]. The Co(II) ion is coordinated in a slightly distorted trigonal–bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O—H⋯O hydrogen bonds connect the molecules, forming a two-dimensional network parallel to (001). The molecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI–MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized. International Union of Crystallography 2016-09-23 /pmc/articles/PMC5050777/ /pubmed/27746942 http://dx.doi.org/10.1107/S2056989016014596 Text en © Zhou et al. 2016 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 | Research Communications Zhou, Yanling Liu, Xianrong Wang, Qijun Wang, Lisheng Song, Baoling Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title_full | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title_fullStr | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title_full_unstemmed | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title_short | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the N,N-bis(2-hydroxyethyl)glycine anion |
title_sort | crystal structure, solvothermal synthesis, thermogravimetric studies and dft calculations of a five-coordinate cobalt(ii) compound based on the n,n-bis(2-hydroxyethyl)glycine anion |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5050777/ https://www.ncbi.nlm.nih.gov/pubmed/27746942 http://dx.doi.org/10.1107/S2056989016014596 |
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