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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...

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Autores principales: Zhou, Yanling, Liu, Xianrong, Wang, Qijun, Wang, Lisheng, Song, Baoling
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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