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  Face-to-Face Stacking and Saddle Distortion of 5,10,15,20-Tetra(4- hydroxyphenyl)porphyrinatocopper(II) in Two New Solvates

Seidel, R. W., Goddard, R., & Oppel, I. M. (2017). Face-to-Face Stacking and Saddle Distortion of 5,10,15,20-Tetra(4- hydroxyphenyl)porphyrinatocopper(II) in Two New Solvates. Journal of Chemical Crystallography, 47(6), 187-197. doi:10.1007/s10870-017-0696-9.

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 Creators:
Seidel, Rüdiger W.1, Author
Goddard, Richard2, Author           
Oppel, Iris M.3, Author
Affiliations:
1Lehrstuhl für Analytische Chemie, Ruhr-Universität Bochum, Universitätsstraße 150, 44780 Bochum, Germany, ou_persistent22              
2Service Department Lehmann (EMR), Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445625              
3Institut für Anorganische Chemie, Rheinisch-Westfälische Technische Hochschule Aachen, Landoltweg 1, 52074 Aachen, Germany, ou_persistent22              

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Free keywords: Copper, Porphyrins, π⋯π stacking, Hydrogen bonding, Solvates, Crystal structure
 Abstract: The crystal structures of the methanol nitrobenzene sesquisolvate hemihydrate (1) and the 3.75-dimethyl sulfoxide solvate monohydrate (2) of 5,10,15,20-tetra(4-hydroxyphenyl)porphyrinatocopper(II) (CuTOHPP) are reported. Both 1 and 2 crystallise in the triclinic system with two molecules of the metalloporphyrin in the asymmetric unit (Z′ = 2). Compound 1 exhibits an extended two-dimensional hydrogen-bonded network in the crystal, whereas discrete hydrogen-bonded assemblies of CuTOHPP and solvent molecules are found in 2. Face-to-face stacking of the metalloporphyrin units and O–H⋯O hydrogen bonding interactions are identified as the most important solid-state organisational features in both 1 and 2. Saddle distortion of the metalloporphyrin units is encountered in both new solvates and there are no Cu⋯O interactions, despite four hydroxy groups on each porphyrin ligand and the presence of oxygen donor solvent molecules.

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Language(s): eng - English
 Dates: 2016-02-252017-07-192017-07-282017-12-01
 Publication Status: Issued
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/s10870-017-0696-9
 Degree: -

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Title: Journal of Chemical Crystallography
  Other : J. Chem. Crystallogr.
Source Genre: Journal
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Publ. Info: New York : Springer Science+Business Media
Pages: 11 Volume / Issue: 47 (6) Sequence Number: - Start / End Page: 187 - 197 Identifier: ISSN: 1074-1542
CoNE: https://pure.mpg.de/cone/journals/resource/954925604775