Cargando…
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...
Autores principales: | , |
---|---|
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 |
_version_ | 1782320042239590400 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4051024 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT przybyłbartosz 18diazabicyclo540undec7en8iumbromidophthalocyaninatozincate AT janczakjan 18diazabicyclo540undec7en8iumbromidophthalocyaninatozincate |