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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...

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Detalles Bibliográficos
Autores principales: Akila, Shanmugasundaram, Vidhyasagar, Thankakan, Thiruvalluvar, Aravazhi Amalan, Rajeswari, Krishnan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
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
Descripción
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%.