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Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ2N,N')nickel(II) dichloride dihydrate.

ABSTRACT: In the hydrated complex salt, [Ni(C9H14N2)2(H2O)2]Cl2·2H2O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water mol-ecule. The central nickel(II) atom is located on an inversion center and is coordinated in a trans octa-hedral fashion by four N atoms from two bidentate 1,2-di-amino-1-phenyl-propane ligands in the equatorial plane, and by two oxygen atoms from two water mol-ecules 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%) inter-actions. The crystal void volume was calculated to be 15.17%.

SUBMITTER: Akila S 

PROVIDER: S-EPMC10561215 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of <i>trans</i>-di-aqua-bis-(1-phenyl-propane-1,2-di-amine-κ<sup>2</sup><i>N</i>,<i>N</i>')nickel(II) dichloride dihydrate.

Akila Shanmugasundaram S   Vidhyasagar Thankakan T   Thiruvalluvar Aravazhi Amalan AA   Rajeswari Krishnan K  

Acta crystallographica. Section E, Crystallographic communications 20230929 Pt 10

In the hydrated complex salt, [Ni(C<sub>9</sub>H<sub>14</sub>N<sub>2</sub>)<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>]Cl<sub>2</sub>·2H<sub>2</sub>O, the asymmetric unit comprises of half of the complex cation along with one chloride anion and one non-coordinating water mol-ecule. The central nickel(II) atom is located on an inversion center and is coordinated in a <i>trans</i> octa-hedral fashion by four N atoms from two bidentate 1,2-di-amino-1-phenyl-propane ligands in the equatorial plane, and  ...[more]

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