Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)

The asymmetric unit of the first title compound iodido(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)zinc(II) iodide, [ZnI(C10H24N4)]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-io...

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Main Authors:	Sergey P. Gavrish, Sergiu Shova, Yaroslaw D. Lampeka
Format:	article
Language:	EN
Published:	International Union of Crystallography 2021
Subjects:	crystal structure polymorph cyclam zinc iodide triiodide hydrogen bonds Chemistry QD1-999
Online Access:	https://doaj.org/article/d959d83b68a1404c8a6fb6adc76e3da7
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spelling	oai:doaj.org-article:d959d83b68a1404c8a6fb6adc76e3da72021-11-12T11:16:10ZCrystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)2056-989010.1107/S2056989021011166https://doaj.org/article/d959d83b68a1404c8a6fb6adc76e3da72021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021011166https://doaj.org/toc/2056-9890The asymmetric unit of the first title compound iodido(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)zinc(II) iodide, [ZnI(C10H24N4)]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-κ4N1,N4,N8,N11)zinc(II) triiodide, [ZnI(C10H24N4)]I3, II, consists of half of the centrosymmetric macrocyclic cation, in which the ZnII 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(C10H24N4)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.Sergey P. GavrishSergiu ShovaYaroslaw D. LampekaInternational Union of Crystallographyarticlecrystal structurepolymorphcyclamzinciodidetriiodidehydrogen bondsChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1185-1189 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	crystal structure polymorph cyclam zinc iodide triiodide hydrogen bonds Chemistry QD1-999
spellingShingle	crystal structure polymorph cyclam zinc iodide triiodide hydrogen bonds Chemistry QD1-999 Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
description	The asymmetric unit of the first title compound iodido(1,4,8,11-tetraazacyclotetradecane-κ4N1,N4,N8,N11)zinc(II) iodide, [ZnI(C10H24N4)]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-κ4N1,N4,N8,N11)zinc(II) triiodide, [ZnI(C10H24N4)]I3, II, consists of half of the centrosymmetric macrocyclic cation, in which the ZnII 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(C10H24N4)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.
format	article
author	Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka
author_facet	Sergey P. Gavrish Sergiu Shova Yaroslaw D. Lampeka
author_sort	Sergey P. Gavrish
title	Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
title_short	Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
title_full	Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
title_fullStr	Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
title_full_unstemmed	Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)
title_sort	crystal structures of zn(cyclam)i2 (second monoclinic polymorph) and zn(cyclam)i(i3)
publisher	International Union of Crystallography
publishDate	2021
url	https://doaj.org/article/d959d83b68a1404c8a6fb6adc76e3da7
work_keys_str_mv	AT sergeypgavrish crystalstructuresofzncyclami2secondmonoclinicpolymorphandzncyclamii3 AT sergiushova crystalstructuresofzncyclami2secondmonoclinicpolymorphandzncyclamii3 AT yaroslawdlampeka crystalstructuresofzncyclami2secondmonoclinicpolymorphandzncyclamii3
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Crystal structures of Zn(cyclam)I2 (second monoclinic polymorph) and Zn(cyclam)I(I3)

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