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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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Detalles Bibliográficos
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
Descripción
Sumario: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.