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1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)

In the title compound, C(12)H(9)N(2) (+)·NO(3) (−)·[Er(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(H(2)O)]·0.5C(12)H(8)N(2)·2H(2)O, the water-mol­ecule-coordinated Er(III) ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hy­droxy­benzoate anions and one nitrate anion in a monocapped square...

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Detalles Bibliográficos
Autores principales: Shen, Fwu Ming, Lush, Shie Fu
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050183/
https://www.ncbi.nlm.nih.gov/pubmed/21522602
http://dx.doi.org/10.1107/S1600536810051767
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author Shen, Fwu Ming
Lush, Shie Fu
author_facet Shen, Fwu Ming
Lush, Shie Fu
author_sort Shen, Fwu Ming
collection PubMed
description In the title compound, C(12)H(9)N(2) (+)·NO(3) (−)·[Er(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(H(2)O)]·0.5C(12)H(8)N(2)·2H(2)O, the water-mol­ecule-coordinated Er(III) ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hy­droxy­benzoate anions and one nitrate anion in a monocapped square-anti­prismatic coordination geometry. The uncoordinating phen mol­ecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3 (4)°]. The centroid–centroid distance of 3.801 (5) Å between pyridine rings suggests the existence of π–π stacking. The crystal structure contains an extensive network of classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds. C—H⋯π inter­actions between phen and 4-hy­droxy­benzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center.
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spelling pubmed-30501832011-04-26 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2) Shen, Fwu Ming Lush, Shie Fu Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, C(12)H(9)N(2) (+)·NO(3) (−)·[Er(C(7)H(5)O(3))(2)(NO(3))(C(12)H(8)N(2))(H(2)O)]·0.5C(12)H(8)N(2)·2H(2)O, the water-mol­ecule-coordinated Er(III) ion is chelated by one 1,10-phenanthroline (phen) ligand, two 4-hy­droxy­benzoate anions and one nitrate anion in a monocapped square-anti­prismatic coordination geometry. The uncoordinating phen mol­ecule is approximately parallel to the 1,10-phenanthrolin-1-ium (Hphen) anion [dihedral angle = 3.3 (4)°]. The centroid–centroid distance of 3.801 (5) Å between pyridine rings suggests the existence of π–π stacking. The crystal structure contains an extensive network of classical O—H⋯O and N—H⋯O and weak C—H⋯O hydrogen bonds. C—H⋯π inter­actions between phen and 4-hy­droxy­benzoate is also present in the crystal structure. In the crystal, the uncoordinating phen is equally disordered over two sites about an inversion center. International Union of Crystallography 2010-12-15 /pmc/articles/PMC3050183/ /pubmed/21522602 http://dx.doi.org/10.1107/S1600536810051767 Text en © Shen and Lush 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Shen, Fwu Ming
Lush, Shie Fu
1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title_full 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title_fullStr 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title_full_unstemmed 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title_short 1,10-Phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) O,O′)(nitrato-κ(2) O,O′)(1,10-phenanthroline-κ(2) N,N′)erbium(III)–1,10-phenanthroline–water (1/1/0.5/2)
title_sort 1,10-phenanthrolin-1-ium nitrate–aqua­bis­(4-hydroxy­benzoato-κ(2) o,o′)(nitrato-κ(2) o,o′)(1,10-phenanthroline-κ(2) n,n′)erbium(iii)–1,10-phenanthroline–water (1/1/0.5/2)
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050183/
https://www.ncbi.nlm.nih.gov/pubmed/21522602
http://dx.doi.org/10.1107/S1600536810051767
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