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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 |
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International Union of Crystallography
2023
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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%. |
format | Online Article Text |
id | pubmed-10561215 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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