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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4384631 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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