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Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))

The asymmetric unit of the first title compound iodido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) iodide, [ZnI(C(10)H(24)N(4))]I, I, consists of the zinc–cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn—I = 2.6619 (5) Å] and the seco...

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Autores principales: Gavrish, Sergey P., Shova, Sergiu, Lampeka, Yaroslaw D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587993/
https://www.ncbi.nlm.nih.gov/pubmed/34868660
http://dx.doi.org/10.1107/S2056989021011166
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author Gavrish, Sergey P.
Shova, Sergiu
Lampeka, Yaroslaw D.
author_facet Gavrish, Sergey P.
Shova, Sergiu
Lampeka, Yaroslaw D.
author_sort Gavrish, Sergey P.
collection PubMed
description The asymmetric unit of the first title compound iodido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) iodide, [ZnI(C(10)H(24)N(4))]I, I, consists of the zinc–cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn—I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) triiodide, [ZnI(C(10)H(24)N(4))]I(3), II, consists of half of the centrosymmetric macrocyclic cation, in which the Zn(II) ion coordinated to an iodide anion [Zn—I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the N,N,N,N-tetra­dentate macrocyclic ligand is present in the most energetically favored trans-III conformation. In the crystals of I, the [Zn(C(10)H(24)N(4))I](+) cations and the non-coordinated iodide anions are linked by N—H⋯I and bifurcated N—H⋯(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of II are built up from infinite chains of the five-coordinate macrocyclic units arranged along the b-axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them.
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spelling pubmed-85879932021-12-02 Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3)) Gavrish, Sergey P. Shova, Sergiu Lampeka, Yaroslaw D. Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the first title compound iodido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) iodide, [ZnI(C(10)H(24)N(4))]I, I, consists of the zinc–cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn—I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido­(1,4,8,11-tetra­aza­cyclo­tetra­decane-κ(4) N (1),N (4),N (8),N (11))zinc(II) triiodide, [ZnI(C(10)H(24)N(4))]I(3), II, consists of half of the centrosymmetric macrocyclic cation, in which the Zn(II) ion coordinated to an iodide anion [Zn—I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the N,N,N,N-tetra­dentate macrocyclic ligand is present in the most energetically favored trans-III conformation. In the crystals of I, the [Zn(C(10)H(24)N(4))I](+) cations and the non-coordinated iodide anions are linked by N—H⋯I and bifurcated N—H⋯(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of II are built up from infinite chains of the five-coordinate macrocyclic units arranged along the b-axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them. International Union of Crystallography 2021-10-29 /pmc/articles/PMC8587993/ /pubmed/34868660 http://dx.doi.org/10.1107/S2056989021011166 Text en © Gavrish et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Gavrish, Sergey P.
Shova, Sergiu
Lampeka, Yaroslaw D.
Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title_full Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title_fullStr Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title_full_unstemmed Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title_short Crystal structures of Zn(cyclam)I(2) (second monoclinic polymorph) and Zn(cyclam)I(I(3))
title_sort crystal structures of zn(cyclam)i(2) (second monoclinic polymorph) and zn(cyclam)i(i(3))
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587993/
https://www.ncbi.nlm.nih.gov/pubmed/34868660
http://dx.doi.org/10.1107/S2056989021011166
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