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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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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
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author Akila, Shanmugasundaram
Vidhyasagar, Thankakan
Thiruvalluvar, Aravazhi Amalan
Rajeswari, Krishnan
author_facet Akila, Shanmugasundaram
Vidhyasagar, Thankakan
Thiruvalluvar, Aravazhi Amalan
Rajeswari, Krishnan
author_sort Akila, Shanmugasundaram
collection PubMed
description 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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spelling pubmed-105612152023-10-10 Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate Akila, Shanmugasundaram Vidhyasagar, Thankakan Thiruvalluvar, Aravazhi Amalan Rajeswari, Krishnan Acta Crystallogr E Crystallogr Commun Research Communications 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%. International Union of Crystallography 2023-09-29 /pmc/articles/PMC10561215/ /pubmed/37817946 http://dx.doi.org/10.1107/S2056989023008538 Text en © Akila et al. 2023 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Akila, Shanmugasundaram
Vidhyasagar, Thankakan
Thiruvalluvar, Aravazhi Amalan
Rajeswari, Krishnan
Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title_full Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title_fullStr Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title_full_unstemmed Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title_short Synthesis, crystal structure, stereochemical and Hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) N,N′)nickel(II) dichloride dihydrate
title_sort synthesis, crystal structure, stereochemical and hirshfeld surface analysis of trans-di­aqua­bis­(1-phenyl­propane-1,2-di­amine-κ(2) n,n′)nickel(ii) dichloride dihydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10561215/
https://www.ncbi.nlm.nih.gov/pubmed/37817946
http://dx.doi.org/10.1107/S2056989023008538
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