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[μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate

In the title compound, [Zn(2)(C(36)H(42)N(4)O(2))(CH(3)COO)(2)]·2CH(3)CH(2)OH, a centrosymmetric dinuclear zinc macrocyclic complex is accompanied by two half-occupied ethanol solvent molecues resulting in a 1:2 macrocycle–solvent composition. The Zn(II) atom has a square-pyramidal geometry arising...

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Detalles Bibliográficos
Autores principales: Fan, Li-Jing, Ma, Jian-Fang, Liu, Jie
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969517/
https://www.ncbi.nlm.nih.gov/pubmed/21582707
http://dx.doi.org/10.1107/S1600536809021990
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author Fan, Li-Jing
Ma, Jian-Fang
Liu, Jie
author_facet Fan, Li-Jing
Ma, Jian-Fang
Liu, Jie
author_sort Fan, Li-Jing
collection PubMed
description In the title compound, [Zn(2)(C(36)H(42)N(4)O(2))(CH(3)COO)(2)]·2CH(3)CH(2)OH, a centrosymmetric dinuclear zinc macrocyclic complex is accompanied by two half-occupied ethanol solvent molecues resulting in a 1:2 macrocycle–solvent composition. The Zn(II) atom has a square-pyramidal geometry arising from an N(2)O(3) donor set, being coordinated by two N atoms and two O atoms from the macrocyclic ligand in the equatorial sites and one O atom from an acetate anion in the apical site. The two Zn(II) atoms are linked by two phenolate O atoms, generating a four-membered Zn(2)O(2) ring at the centre of the macrocycle. The tert-butyl group shows rotational disorder over two sets of sites in a 0.552 (12):0.448 (12) ratio. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds are seen and a short intra­molecular C—H⋯O contact occurs.
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spelling pubmed-29695172010-12-30 [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate Fan, Li-Jing Ma, Jian-Fang Liu, Jie Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Zn(2)(C(36)H(42)N(4)O(2))(CH(3)COO)(2)]·2CH(3)CH(2)OH, a centrosymmetric dinuclear zinc macrocyclic complex is accompanied by two half-occupied ethanol solvent molecues resulting in a 1:2 macrocycle–solvent composition. The Zn(II) atom has a square-pyramidal geometry arising from an N(2)O(3) donor set, being coordinated by two N atoms and two O atoms from the macrocyclic ligand in the equatorial sites and one O atom from an acetate anion in the apical site. The two Zn(II) atoms are linked by two phenolate O atoms, generating a four-membered Zn(2)O(2) ring at the centre of the macrocycle. The tert-butyl group shows rotational disorder over two sets of sites in a 0.552 (12):0.448 (12) ratio. In the crystal, N—H⋯O and O—H⋯O hydrogen bonds are seen and a short intra­molecular C—H⋯O contact occurs. International Union of Crystallography 2009-06-17 /pmc/articles/PMC2969517/ /pubmed/21582707 http://dx.doi.org/10.1107/S1600536809021990 Text en © Fan et al. 2009 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 Metal-Organic Papers
Fan, Li-Jing
Ma, Jian-Fang
Liu, Jie
[μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title_full [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title_fullStr [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title_full_unstemmed [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title_short [μ-(4S,5S,15S,16S)-10,21-Di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) N (3),N (6),O (23),O (24):N (14) N (17),O (23),O (24)]bis­[(acetato-κO)zinc(II)] ethanol disolvate
title_sort [μ-(4s,5s,15s,16s)-10,21-di-tert-butyl-4,5,15,16-tetra­phenyl-3,6,14,17-tetra­aza­tricyclo­[17.3.1.1(8,12)]tetra­cosa-1(23),8,10,12(24),19,21-hexa­ene-23,24-diolato-κ(8) n (3),n (6),o (23),o (24):n (14) n (17),o (23),o (24)]bis­[(acetato-κo)zinc(ii)] ethanol disolvate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969517/
https://www.ncbi.nlm.nih.gov/pubmed/21582707
http://dx.doi.org/10.1107/S1600536809021990
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