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Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4) N:N (1),N (2):N (4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
The title compound, [Cu(C(11)H(9)N(4)O)(CH(3)CO(2))]·2H(2)O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamide (HL). Complex CuL has a metal–organic framework (MOF) structure with a 10 (3) network topology. The ligand coordinates in a bidentate...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120597/ https://www.ncbi.nlm.nih.gov/pubmed/25161498 http://dx.doi.org/10.1107/S1600536814011520 |
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author | Cati, Dilovan S. Stoeckli-Evans, Helen |
author_facet | Cati, Dilovan S. Stoeckli-Evans, Helen |
author_sort | Cati, Dilovan S. |
collection | PubMed |
description | The title compound, [Cu(C(11)H(9)N(4)O)(CH(3)CO(2))]·2H(2)O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamide (HL). Complex CuL has a metal–organic framework (MOF) structure with a 10 (3) network topology. The ligand coordinates in a bidentate and a bis-monodentate manner, bridging three equivalent Cu(II) atoms via the pyridine N atom and the second pyrazine N atom. The Cu(II) atom has a fivefold coordination sphere, CuN(4)O, being coordinated to three N atoms of the ligand and the acetate O atom in the equatorial plane and to the second pyrazine atom in the apical position. This gives rise to a fairly regular square-pyramidal geometry. In the crystal, the water molecules are linked to each other and to the three-dimensional framework via O—H⋯O hydrogen bonds. There are also a number of C—H⋯O hydrogen bonds present within the framework. |
format | Online Article Text |
id | pubmed-4120597 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41205972014-08-26 Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4) N:N (1),N (2):N (4)]copper(II)] dihydrate]: a metal–organic framework (MOF) Cati, Dilovan S. Stoeckli-Evans, Helen Acta Crystallogr Sect E Struct Rep Online Research Communications The title compound, [Cu(C(11)H(9)N(4)O)(CH(3)CO(2))]·2H(2)O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamide (HL). Complex CuL has a metal–organic framework (MOF) structure with a 10 (3) network topology. The ligand coordinates in a bidentate and a bis-monodentate manner, bridging three equivalent Cu(II) atoms via the pyridine N atom and the second pyrazine N atom. The Cu(II) atom has a fivefold coordination sphere, CuN(4)O, being coordinated to three N atoms of the ligand and the acetate O atom in the equatorial plane and to the second pyrazine atom in the apical position. This gives rise to a fairly regular square-pyramidal geometry. In the crystal, the water molecules are linked to each other and to the three-dimensional framework via O—H⋯O hydrogen bonds. There are also a number of C—H⋯O hydrogen bonds present within the framework. International Union of Crystallography 2014-06-23 /pmc/articles/PMC4120597/ /pubmed/25161498 http://dx.doi.org/10.1107/S1600536814011520 Text en © Cati and Stoeckli-Evans 2014 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 | Research Communications Cati, Dilovan S. Stoeckli-Evans, Helen Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4) N:N (1),N (2):N (4)]copper(II)] dihydrate]: a metal–organic framework (MOF) |
title | Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
N:N
(1),N
(2):N
(4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
|
title_full | Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
N:N
(1),N
(2):N
(4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
|
title_fullStr | Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
N:N
(1),N
(2):N
(4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
|
title_full_unstemmed | Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
N:N
(1),N
(2):N
(4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
|
title_short | Crystal structure of poly[[(acetato-κO){μ(3)-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
N:N
(1),N
(2):N
(4)]copper(II)] dihydrate]: a metal–organic framework (MOF)
|
title_sort | crystal structure of poly[[(acetato-κo){μ(3)-n-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ(4)
n:n
(1),n
(2):n
(4)]copper(ii)] dihydrate]: a metal–organic framework (mof) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120597/ https://www.ncbi.nlm.nih.gov/pubmed/25161498 http://dx.doi.org/10.1107/S1600536814011520 |
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