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Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3) O,N,O′)nickel(II)]-μ-pyrazine-κ(2) N:N′]
The title coordination polymer, [Ni(C(7)H(3)NO(4))(C(4)H(4)N(2))(C(2)H(6)OS)](n), consists of [010] chains composed of Ni(II) ions linked by bis-monodentate-bridging pyrazine molecules. Each of the two crystallographically distinct Ni(II) ions is located on a mirror plane and is additionally coordi...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908528/ https://www.ncbi.nlm.nih.gov/pubmed/27308038 http://dx.doi.org/10.1107/S2056989016007064 |
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author | Liu, Chen Thuijs, Annaliese E. Felts, Ashley C. Ballouk, Hamza F. Abboud, Khalil A. |
author_facet | Liu, Chen Thuijs, Annaliese E. Felts, Ashley C. Ballouk, Hamza F. Abboud, Khalil A. |
author_sort | Liu, Chen |
collection | PubMed |
description | The title coordination polymer, [Ni(C(7)H(3)NO(4))(C(4)H(4)N(2))(C(2)H(6)OS)](n), consists of [010] chains composed of Ni(II) ions linked by bis-monodentate-bridging pyrazine molecules. Each of the two crystallographically distinct Ni(II) ions is located on a mirror plane and is additionally coordinated by a dimethyl sulfoxide (DMSO) ligand through the oxygen atom and by a tridentate 2,6-pyridine-dicarboxylic acid dianion through one of each of the carboxylate oxygen atoms and the pyridine nitrogen atom, leading to a distorted octahedral coordination environment. The title structure exhibits an interesting complementarity between coordinative bonding and π–π stacking where the Ni—Ni distance of 7.0296 (4) Å across bridging pyrazine ligands allows the pyridine moieties on two adjacent chains to interdigitate at halfway of the Ni—Ni distance, resulting in π–π stacking between pyridine moieties with a centroid-to-plane distance of 3.5148 (2) Å. The double-chain thus formed also exhibits C—H⋯π interactions between pyridine C—H groups on one chain and pyrazine molecules on the other chain. As a result, the interior of the double-chain structure is dominated by π–π stacking and C—H⋯ π interactions, while the space between the double-chains is occupied by a C—H⋯O hydrogen-bonding network involving DMSO ligands and carboxylate groups located on the exterior of the double-chains. This separation of dissimilar interactions in the interior and exterior of the double-chains further stabilizes the crystal structure. |
format | Online Article Text |
id | pubmed-4908528 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-49085282016-06-15 Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3) O,N,O′)nickel(II)]-μ-pyrazine-κ(2) N:N′] Liu, Chen Thuijs, Annaliese E. Felts, Ashley C. Ballouk, Hamza F. Abboud, Khalil A. Acta Crystallogr E Crystallogr Commun Research Communications The title coordination polymer, [Ni(C(7)H(3)NO(4))(C(4)H(4)N(2))(C(2)H(6)OS)](n), consists of [010] chains composed of Ni(II) ions linked by bis-monodentate-bridging pyrazine molecules. Each of the two crystallographically distinct Ni(II) ions is located on a mirror plane and is additionally coordinated by a dimethyl sulfoxide (DMSO) ligand through the oxygen atom and by a tridentate 2,6-pyridine-dicarboxylic acid dianion through one of each of the carboxylate oxygen atoms and the pyridine nitrogen atom, leading to a distorted octahedral coordination environment. The title structure exhibits an interesting complementarity between coordinative bonding and π–π stacking where the Ni—Ni distance of 7.0296 (4) Å across bridging pyrazine ligands allows the pyridine moieties on two adjacent chains to interdigitate at halfway of the Ni—Ni distance, resulting in π–π stacking between pyridine moieties with a centroid-to-plane distance of 3.5148 (2) Å. The double-chain thus formed also exhibits C—H⋯π interactions between pyridine C—H groups on one chain and pyrazine molecules on the other chain. As a result, the interior of the double-chain structure is dominated by π–π stacking and C—H⋯ π interactions, while the space between the double-chains is occupied by a C—H⋯O hydrogen-bonding network involving DMSO ligands and carboxylate groups located on the exterior of the double-chains. This separation of dissimilar interactions in the interior and exterior of the double-chains further stabilizes the crystal structure. International Union of Crystallography 2016-04-29 /pmc/articles/PMC4908528/ /pubmed/27308038 http://dx.doi.org/10.1107/S2056989016007064 Text en © Liu et al. 2016 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 Liu, Chen Thuijs, Annaliese E. Felts, Ashley C. Ballouk, Hamza F. Abboud, Khalil A. Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3) O,N,O′)nickel(II)]-μ-pyrazine-κ(2) N:N′] |
title | Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3)
O,N,O′)nickel(II)]-μ-pyrazine-κ(2)
N:N′] |
title_full | Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3)
O,N,O′)nickel(II)]-μ-pyrazine-κ(2)
N:N′] |
title_fullStr | Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3)
O,N,O′)nickel(II)]-μ-pyrazine-κ(2)
N:N′] |
title_full_unstemmed | Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3)
O,N,O′)nickel(II)]-μ-pyrazine-κ(2)
N:N′] |
title_short | Crystal structure of catena-poly[[(dimethyl sulfoxide-κO)(pyridine-2,6-dicarboxylato-κ(3)
O,N,O′)nickel(II)]-μ-pyrazine-κ(2)
N:N′] |
title_sort | crystal structure of catena-poly[[(dimethyl sulfoxide-κo)(pyridine-2,6-dicarboxylato-κ(3)
o,n,o′)nickel(ii)]-μ-pyrazine-κ(2)
n:n′] |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908528/ https://www.ncbi.nlm.nih.gov/pubmed/27308038 http://dx.doi.org/10.1107/S2056989016007064 |
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