Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Cati, Dilovan S., Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782329116186378240
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
work_keys_str_mv AT catidilovans crystalstructureofpolyacetatokom3npyridin4ylmethylpyrazine2carboxamidatok4nn1n2n4copperiidihydrateametalorganicframeworkmof
AT stoecklievanshelen crystalstructureofpolyacetatokom3npyridin4ylmethylpyrazine2carboxamidatok4nn1n2n4copperiidihydrateametalorganicframeworkmof