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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 |
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. |
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