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1,8-Di-aza-bicyclo-[5.4.0]undec-7-en-8-ium bromido-(phthalocyaninato)zincate.

ABSTRACT: The title compound, (C9H17N2)[ZnBr(C32H16N8)], contains a bromido-(phthalocyaninato)zincate anion and a protonated 1,8-di-aza-bicyclo-[5.4.0]undece-7-ene cation, [DBUH](+). The central Zn(II) atom has a distorted square-pyramidal geometry, with four iso-indole 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 iso-indole N atoms. The [DBUH](+) cation is involved in an almost linear N-H?Br hydrogen bond. In the crystal, ?-? inter-actions lead to a relatively short distance of 3.366?(3)?Å between the phthalocyaninate rings.

SUBMITTER: Przybyl B

PROVIDER: S-EPMC4051024 | biostudies-literature | 2014 Jun

REPOSITORIES: biostudies-literature

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1,8-Di-aza-bicyclo-[5.4.0]undec-7-en-8-ium bromido-(phthalocyaninato)zincate.

Przybył Bartosz B Janczak Jan J

Acta crystallographica. Section E, Structure reports online 20140524 Pt 6

The title compound, (C9H17N2)[ZnBr(C32H16N8)], contains a bromido-(phthalocyaninato)zincate anion and a protonated 1,8-di-aza-bicyclo-[5.4.0]undece-7-ene cation, [DBUH](+). The central Zn(II) atom has a distorted square-pyramidal geometry, with four iso-indole 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 ...[more]

PMID: 24940212

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