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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(5-methyltetra­zolato-κN)nickel(II) from synchrotron data

The structure of the title compound, [Ni(C(2)H(3)N(4))(2)(C(16)H(38)N(6))], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol­ecule, which is related to the other half-mol­ecule by an inversion center. The Ni(II) ion is coordinated...

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Autores principales: Kim, Dae-Woong, Shin, Jong Won, Kim, Jin Hong, Moon, Dohyun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384631/
https://www.ncbi.nlm.nih.gov/pubmed/25878811
http://dx.doi.org/10.1107/S2056989015000651
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author Kim, Dae-Woong
Shin, Jong Won
Kim, Jin Hong
Moon, Dohyun
author_facet Kim, Dae-Woong
Shin, Jong Won
Kim, Jin Hong
Moon, Dohyun
author_sort Kim, Dae-Woong
collection PubMed
description The structure of the title compound, [Ni(C(2)H(3)N(4))(2)(C(16)H(38)N(6))], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol­ecule, which is related to the other half-mol­ecule by an inversion center. The Ni(II) ion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetra­zolate anions in axial positions, resulting in a tetra­gonally distorted octa­hedral geometry. The average equatorial Ni—N bond length [2.060 (8) Å] is shorter than the axial Ni—N bond length [2.2183 (11) Å]. An intra­molecular N—H⋯N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetra­zolate ion stabilizes the mol­ecular structure. Moreover, an inter­molecular N—H⋯N hydrogen bond between the macrocyclic ligand and 5-methyltetra­zolate group gives rise to a supra­molecular sheet structure parallel to the bc plane.
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spelling pubmed-43846312015-04-15 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(5-methyltetra­zolato-κN)nickel(II) from synchrotron data Kim, Dae-Woong Shin, Jong Won Kim, Jin Hong Moon, Dohyun Acta Crystallogr E Crystallogr Commun Research Communications The structure of the title compound, [Ni(C(2)H(3)N(4))(2)(C(16)H(38)N(6))], has been characterized from synchrotron radiation. The asymmetric unit consists of one half of the Ni(II) complex mol­ecule, which is related to the other half-mol­ecule by an inversion center. The Ni(II) ion is coordinated by four secondary N atoms of the macrocyclic ligand in a square-planar fashion in the equatorial plane and by two N atoms of the 5-methyltetra­zolate anions in axial positions, resulting in a tetra­gonally distorted octa­hedral geometry. The average equatorial Ni—N bond length [2.060 (8) Å] is shorter than the axial Ni—N bond length [2.2183 (11) Å]. An intra­molecular N—H⋯N hydrogen bond between the secondary amine N atom of the macrocyclic ligand and the non-coordinating N atom of the 5-methyltetra­zolate ion stabilizes the mol­ecular structure. Moreover, an inter­molecular N—H⋯N hydrogen bond between the macrocyclic ligand and 5-methyltetra­zolate group gives rise to a supra­molecular sheet structure parallel to the bc plane. International Union of Crystallography 2015-01-17 /pmc/articles/PMC4384631/ /pubmed/25878811 http://dx.doi.org/10.1107/S2056989015000651 Text en © Kim et al. 2015 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
Kim, Dae-Woong
Shin, Jong Won
Kim, Jin Hong
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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κN)nickel(II) 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(5-methyltetra­zolato-κn)nickel(ii) from synchrotron data
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384631/
https://www.ncbi.nlm.nih.gov/pubmed/25878811
http://dx.doi.org/10.1107/S2056989015000651
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