Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1782199304106016768 |
---|---|
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. |
format | Text |
id | pubmed-3050183 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT shenfwuming 110phenanthrolin1iumnitrateaquabis4hydroxybenzoatok2oonitratok2oo110phenanthrolinek2nnerbiumiii110phenanthrolinewater11052 AT lushshiefu 110phenanthrolin1iumnitrateaquabis4hydroxybenzoatok2oonitratok2oo110phenanthrolinek2nnerbiumiii110phenanthrolinewater11052 |