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Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2) N,O (1)](1,10-phenanthroline-κ(2) N,N′)cadmium dihydrate
The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C(13)H(18)NO(3))(2)(C(12)H(8)N(2))]·2H(2)O, contains two crystallographically independent molecules that differ insignificantly in their geometrical parameters. In both, the Cd(II) cation lies on a twofold rotation axis and is c...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218889/ https://www.ncbi.nlm.nih.gov/pubmed/30443381 http://dx.doi.org/10.1107/S2056989018013877 |
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author | Faizi, Md. Serajul Haque Dege, Necmi Pogrebetsky, James Iskenderov, Turganbay S. |
author_facet | Faizi, Md. Serajul Haque Dege, Necmi Pogrebetsky, James Iskenderov, Turganbay S. |
author_sort | Faizi, Md. Serajul Haque |
collection | PubMed |
description | The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C(13)H(18)NO(3))(2)(C(12)H(8)N(2))]·2H(2)O, contains two crystallographically independent molecules that differ insignificantly in their geometrical parameters. In both, the Cd(II) cation lies on a twofold rotation axis and is coordinated in a distorted octahedral fashion to two monodeprotonated residues of the l-leucine-derived ligand (S)-2-(2-hydroxybenzylamino)-4-methylpentanoic acid (L), as well as to a 1,10-phenanthroline ligand in a κ(2) N,N′ mode. The former coordinate in an N,O-chelating mode, exhibiting a trans-N,N′ mutual disposition. The phenolic oxygen donor groups remain protonated and do not coordinate to the cation but take part in intra- and intermolecular hydrogen bonds. In the crystal, O—H⋯O hydrogen bonding results in the formation of a three-dimensional network structure. The contribution to the electron density of two disordered water molecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The studied crystal was refined as a two-component inversion twin. The title complex was also characterized by IR and (1)H NMR spectroscopic methods. |
format | Online Article Text |
id | pubmed-6218889 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-62188892018-11-15 Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2) N,O (1)](1,10-phenanthroline-κ(2) N,N′)cadmium dihydrate Faizi, Md. Serajul Haque Dege, Necmi Pogrebetsky, James Iskenderov, Turganbay S. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the mononuclear mixed-ligand title complex, [Cd(C(13)H(18)NO(3))(2)(C(12)H(8)N(2))]·2H(2)O, contains two crystallographically independent molecules that differ insignificantly in their geometrical parameters. In both, the Cd(II) cation lies on a twofold rotation axis and is coordinated in a distorted octahedral fashion to two monodeprotonated residues of the l-leucine-derived ligand (S)-2-(2-hydroxybenzylamino)-4-methylpentanoic acid (L), as well as to a 1,10-phenanthroline ligand in a κ(2) N,N′ mode. The former coordinate in an N,O-chelating mode, exhibiting a trans-N,N′ mutual disposition. The phenolic oxygen donor groups remain protonated and do not coordinate to the cation but take part in intra- and intermolecular hydrogen bonds. In the crystal, O—H⋯O hydrogen bonding results in the formation of a three-dimensional network structure. The contribution to the electron density of two disordered water molecules was removed with the SQUEEZE procedure in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The studied crystal was refined as a two-component inversion twin. The title complex was also characterized by IR and (1)H NMR spectroscopic methods. International Union of Crystallography 2018-10-12 /pmc/articles/PMC6218889/ /pubmed/30443381 http://dx.doi.org/10.1107/S2056989018013877 Text en © Faizi et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Faizi, Md. Serajul Haque Dege, Necmi Pogrebetsky, James Iskenderov, Turganbay S. Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2) N,O (1)](1,10-phenanthroline-κ(2) N,N′)cadmium dihydrate |
title | Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
N,O
(1)](1,10-phenanthroline-κ(2)
N,N′)cadmium dihydrate |
title_full | Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
N,O
(1)](1,10-phenanthroline-κ(2)
N,N′)cadmium dihydrate |
title_fullStr | Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
N,O
(1)](1,10-phenanthroline-κ(2)
N,N′)cadmium dihydrate |
title_full_unstemmed | Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
N,O
(1)](1,10-phenanthroline-κ(2)
N,N′)cadmium dihydrate |
title_short | Crystal structure of bis[(S)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
N,O
(1)](1,10-phenanthroline-κ(2)
N,N′)cadmium dihydrate |
title_sort | crystal structure of bis[(s)-2-(2-hydroxybenzylamino)-4-methylpentanoato-κ(2)
n,o
(1)](1,10-phenanthroline-κ(2)
n,n′)cadmium dihydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218889/ https://www.ncbi.nlm.nih.gov/pubmed/30443381 http://dx.doi.org/10.1107/S2056989018013877 |
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