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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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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. |
format | Text |
id | pubmed-2969517 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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