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Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-diaquabis(1-phenylpropane-1,2-diamine-κ(2) N,N′)nickel(II) dichloride dihydrate
In the hydrated complex salt, [Ni(C(9)H(14)N(2))(2)(H(2)O)(2)]Cl(2)·2H(2)O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water molecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561215/ https://www.ncbi.nlm.nih.gov/pubmed/37817946 http://dx.doi.org/10.1107/S2056989023008538 |
Sumario: | In the hydrated complex salt, [Ni(C(9)H(14)N(2))(2)(H(2)O)(2)]Cl(2)·2H(2)O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water molecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octahedral fashion by four N atoms from two bidentate 1,2-diamino-1-phenylpropane ligands in the equatorial plane, and by two oxygen atoms from two water molecules occupying the axial sites. The five-membered chelate ring is in a slightly twisted envelope conformation. The crystal packing features O—H⋯Cl, N—H⋯O and N—H⋯Cl hydrogen bonds. Hirshfeld surface analysis revealed that the most important contributions to the crystal packing are from H⋯H (56.4%), O⋯H/H⋯O (16.4%) and H⋯Cl (13.3%) interactions. The crystal void volume was calculated to be 15.17%. |
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