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Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data

The title compound, [Ni(C(6)H(4)NO(2))(2)(C(16)H(38)N(6))], was prepared through self-assembly of a nickel(II) aza­macrocyclic complex with isonicotinic acid. The Ni(II) atom is located on an inversion center and exhibits a distorted octa­hedral N(4)O(2) coordination environment, with the four secon...

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Autores principales: Shin, Jong Won, Kim, Dae-Woong, Moon, Dohyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770951/
https://www.ncbi.nlm.nih.gov/pubmed/26958393
http://dx.doi.org/10.1107/S2056989016001031
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author Shin, Jong Won
Kim, Dae-Woong
Moon, Dohyun
author_facet Shin, Jong Won
Kim, Dae-Woong
Moon, Dohyun
author_sort Shin, Jong Won
collection PubMed
description The title compound, [Ni(C(6)H(4)NO(2))(2)(C(16)H(38)N(6))], was prepared through self-assembly of a nickel(II) aza­macrocyclic complex with isonicotinic acid. The Ni(II) atom is located on an inversion center and exhibits a distorted octa­hedral N(4)O(2) coordination environment, with the four secondary N atoms of the aza­macrocyclic ligand in the equatorial plane [average Ni—N(eq) = 2.064 (11) Å] and two O atoms of monodentate isonicotinate anions in axial positions [Ni—O(ax) = 2.137 (1) Å]. Intra­molecular N—H⋯O hydrogen bonds between one of the secondary amine N atoms of the aza­macrocyclic ligand and the non-coordinating carboxyl­ate O atom of the anion stabilize the mol­ecular structure. Inter­molecular N—H⋯N hydrogen bonds, as well as π–π inter­actions between neighbouring pyridine rings, give rise to the formations of supra­molecular ribbons extending parallel to [001].
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spelling pubmed-47709512016-03-08 Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data Shin, Jong Won Kim, Dae-Woong Moon, Dohyun Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Ni(C(6)H(4)NO(2))(2)(C(16)H(38)N(6))], was prepared through self-assembly of a nickel(II) aza­macrocyclic complex with isonicotinic acid. The Ni(II) atom is located on an inversion center and exhibits a distorted octa­hedral N(4)O(2) coordination environment, with the four secondary N atoms of the aza­macrocyclic ligand in the equatorial plane [average Ni—N(eq) = 2.064 (11) Å] and two O atoms of monodentate isonicotinate anions in axial positions [Ni—O(ax) = 2.137 (1) Å]. Intra­molecular N—H⋯O hydrogen bonds between one of the secondary amine N atoms of the aza­macrocyclic ligand and the non-coordinating carboxyl­ate O atom of the anion stabilize the mol­ecular structure. Inter­molecular N—H⋯N hydrogen bonds, as well as π–π inter­actions between neighbouring pyridine rings, give rise to the formations of supra­molecular ribbons extending parallel to [001]. International Union of Crystallography 2016-01-23 /pmc/articles/PMC4770951/ /pubmed/26958393 http://dx.doi.org/10.1107/S2056989016001031 Text en © Shin 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
Shin, Jong Won
Kim, Dae-Woong
Moon, Dohyun
Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title_full Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title_fullStr Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title_full_unstemmed Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title_short Crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) N (3),N (6),N (10),N (13))bis­(isonicotinato-κO)nickel(II) determined from synchrotron data
title_sort crystal structure of trans-(1,8-dibutyl-1,3,6,8,10,13-hexa­aza­cyclo­tetra­decane-κ(4) n (3),n (6),n (10),n (13))bis­(isonicotinato-κo)nickel(ii) determined from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770951/
https://www.ncbi.nlm.nih.gov/pubmed/26958393
http://dx.doi.org/10.1107/S2056989016001031
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