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1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate

The title compound, (C(9)H(17)N(2))[ZnBr(C(32)H(16)N(8))], contains a bromido­(phthalocyaninato)zincate anion and a protonated 1,8-di­aza­bicyclo­[5.4.0]undece-7-ene cation, [DBUH](+). The central Zn(II) atom has a distorted square-pyramidal geometry, with four iso­indole N atoms of the macrocycle i...

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Detalles Bibliográficos
Autores principales: Przybył, Bartosz, Janczak, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051024/
https://www.ncbi.nlm.nih.gov/pubmed/24940212
http://dx.doi.org/10.1107/S160053681401157X
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author Przybył, Bartosz
Janczak, Jan
author_facet Przybył, Bartosz
Janczak, Jan
author_sort Przybył, Bartosz
collection PubMed
description The title compound, (C(9)H(17)N(2))[ZnBr(C(32)H(16)N(8))], contains a bromido­(phthalocyaninato)zincate anion and a protonated 1,8-di­aza­bicyclo­[5.4.0]undece-7-ene cation, [DBUH](+). The central Zn(II) atom has a distorted square-pyramidal geometry, with four iso­indole N atoms of the macrocycle in equatorial positions and a bromide ion in the axial position. The latter has a relatively high displacement parameter, but no evidence for disorder was obtained. The central Zn(II) atom is displaced by 0.488 (3) Å from the mean plane defined by the four iso­indole N atoms. The [DBUH](+) cation is involved in an almost linear N—H⋯Br hydrogen bond. In the crystal, π–π inter­actions lead to a relatively short distance of 3.366 (3) Å between the phthalocyaninate rings.
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spelling pubmed-40510242014-06-17 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate Przybył, Bartosz Janczak, Jan Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers The title compound, (C(9)H(17)N(2))[ZnBr(C(32)H(16)N(8))], contains a bromido­(phthalocyaninato)zincate anion and a protonated 1,8-di­aza­bicyclo­[5.4.0]undece-7-ene cation, [DBUH](+). The central Zn(II) atom has a distorted square-pyramidal geometry, with four iso­indole N atoms of the macrocycle in equatorial positions and a bromide ion in the axial position. The latter has a relatively high displacement parameter, but no evidence for disorder was obtained. The central Zn(II) atom is displaced by 0.488 (3) Å from the mean plane defined by the four iso­indole N atoms. The [DBUH](+) cation is involved in an almost linear N—H⋯Br hydrogen bond. In the crystal, π–π inter­actions lead to a relatively short distance of 3.366 (3) Å between the phthalocyaninate rings. International Union of Crystallography 2014-05-24 /pmc/articles/PMC4051024/ /pubmed/24940212 http://dx.doi.org/10.1107/S160053681401157X Text en © Przybył and Janczak 2014 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
Przybył, Bartosz
Janczak, Jan
1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title_full 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title_fullStr 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title_full_unstemmed 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title_short 1,8-Di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
title_sort 1,8-di­aza­bicyclo­[5.4.0]undec-7-en-8-ium bromido­(phthalocyaninato)zincate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051024/
https://www.ncbi.nlm.nih.gov/pubmed/24940212
http://dx.doi.org/10.1107/S160053681401157X
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