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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...

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Autores principales: Liu, Chen, Thuijs, Annaliese E., Felts, Ashley C., Ballouk, Hamza F., Abboud, Khalil A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
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.
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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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