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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...

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Autores principales: Faizi, Md. Serajul Haque, Dege, Necmi, Pogrebetsky, James, Iskenderov, Turganbay S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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