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Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate
The structure of the title salt complex, [Fe(C(12)H(8)N(3)O(2))(2)]ClO(4)·H(2)O, contains one Fe(III) cation, two N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate (bpca(−)) anions, one perchlorate anion and one water molecule. The Fe(III) cation has an approximate octahedral geometry, defined by...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238670/ https://www.ncbi.nlm.nih.gov/pubmed/22199561 http://dx.doi.org/10.1107/S1600536811047684 |
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author | Li, Xi-Feng Qiu, Tian-Bao Hu, Li-Xin Hu, Chun-Yue |
author_facet | Li, Xi-Feng Qiu, Tian-Bao Hu, Li-Xin Hu, Chun-Yue |
author_sort | Li, Xi-Feng |
collection | PubMed |
description | The structure of the title salt complex, [Fe(C(12)H(8)N(3)O(2))(2)]ClO(4)·H(2)O, contains one Fe(III) cation, two N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate (bpca(−)) anions, one perchlorate anion and one water molecule. The Fe(III) cation has an approximate octahedral geometry, defined by six N atoms from two bpca(−) anions. The nearly parallel [dihedral angle = 1.50 (1)°] bpca(−) anions form two-dimensional supermolecules along the a axis by the way of weak π–π stacking inteactirons [centroid–centroid distances = 3.948 (2), 4.000 (2), 3.948 (2), 3.911 (2), 3.897 (2), 3.984 (2) and 3.929 (2) Å]. Intra- and intermolecular C—H⋯O hydrogen bonding occurs. The water molecule [occupancies 0.520 (5) and 0.480 (5)], two carbonyl O atoms [occupancies 0.622 (7) and 0.378 (7)] and the four perchlorate O atoms [occupancies 0.887 (4) and 0.113 (4)] are each disordered over two positions. |
format | Online Article Text |
id | pubmed-3238670 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32386702011-12-23 Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate Li, Xi-Feng Qiu, Tian-Bao Hu, Li-Xin Hu, Chun-Yue Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The structure of the title salt complex, [Fe(C(12)H(8)N(3)O(2))(2)]ClO(4)·H(2)O, contains one Fe(III) cation, two N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidate (bpca(−)) anions, one perchlorate anion and one water molecule. The Fe(III) cation has an approximate octahedral geometry, defined by six N atoms from two bpca(−) anions. The nearly parallel [dihedral angle = 1.50 (1)°] bpca(−) anions form two-dimensional supermolecules along the a axis by the way of weak π–π stacking inteactirons [centroid–centroid distances = 3.948 (2), 4.000 (2), 3.948 (2), 3.911 (2), 3.897 (2), 3.984 (2) and 3.929 (2) Å]. Intra- and intermolecular C—H⋯O hydrogen bonding occurs. The water molecule [occupancies 0.520 (5) and 0.480 (5)], two carbonyl O atoms [occupancies 0.622 (7) and 0.378 (7)] and the four perchlorate O atoms [occupancies 0.887 (4) and 0.113 (4)] are each disordered over two positions. International Union of Crystallography 2011-11-16 /pmc/articles/PMC3238670/ /pubmed/22199561 http://dx.doi.org/10.1107/S1600536811047684 Text en © Li et al. 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 Li, Xi-Feng Qiu, Tian-Bao Hu, Li-Xin Hu, Chun-Yue Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title | Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title_full | Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title_fullStr | Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title_full_unstemmed | Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title_short | Bis[N-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate |
title_sort | bis[n-(pyridin-2-ylcarbonyl)pyridine-2-carboxamidato]iron(iii) perchlorate monohydrate |
topic | Metal-Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3238670/ https://www.ncbi.nlm.nih.gov/pubmed/22199561 http://dx.doi.org/10.1107/S1600536811047684 |
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