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  A synchrotron study of [5,10,15,20-tetrakis(3- cyanophenyl)porphyrinato-κ4N5,N10,N15,N20]- copper(II) nitrobenzene trisolvate at 80 K1

Seidel, R. W., Goddard, R., Mayer-Gall, T., & Oppel, I. M. (2016). A synchrotron study of [5,10,15,20-tetrakis(3- cyanophenyl)porphyrinato-κ4N5,N10,N15,N20]- copper(II) nitrobenzene trisolvate at 80 K1. Acta Crystallographica, Section C: Crystal Structure Communications, 72(11), 861-866. doi:10.1107/S2053229616015515.

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 Creators:
Seidel, Rüdiger W.1, Author              
Goddard, Richard2, Author              
Mayer-Gall, Thomas3, 4, Author
Oppel, Iris M.5, 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              
3Deutsches Textilforschungszentrum Nord-West gGmbH. Institut an der Universität Duisburg-Essen, Adlerstrasse 1, 47798 Krefeld, Germany, ou_persistent22              
4Institut für Physical Chemistry und CENIDE, Universität Duisburg-Essen, Universitätsstrasse 5, 45117 Essen, Germany, ou_persistent22              
5Institut für Anorganische Chemie, Rheinisch-Westfälische Technische Hochschule Aachen, Landoltweg 1, 52074 Aachen, Germany, ou_persistent22              

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Free keywords: porphyrin, crystal structure, planar macrocycle, fourfold symmetry, copper(II), synchrotron
 Abstract: Porphyrin assemblies display interesting photophysical properties and a relatively high thermal stability. Moreover, meso-functionalized porphyrins with virtually fourfold symmetry can be relatively readily synthesized from pyrrole and the appropriate aldehyde. A number of metallo derivatives of 5,10,15,20-tetrakis(4-cyanophenyl)porphyrin, where the N atom of the linear cyano group can act both as a donor for coordination bonds or as an acceptor for hydrogen bonds, have been structurally characterized by single-crystal X-ray analysis. The supramolecular and structural chemistry of the corresponding 2- and 3-cyanophenyl isomers of the parent porphyrin, however, has remained largely unexplored. The crystal structure of [5,10,15,20-tetrakis(3- cyanophenyl)porphyrinato]copper(II) (CuTCNPP) nitrobenzene trisolvate, [Cu(C48H24N8)]3C6H5NO2, has been determined at 80 K by synchrotron single-crystal X-ray diffraction. CuTCNPP exhibits a C2h-symmetric [alpha][alpha][beta][beta] conformation, despite an unsymmetrical crystal environment, and is situated on a crystallographic centre of symmetry. The CuII ion adopts a genuine square-planar coordination by the four pyrrole N atoms. The 24-membered porphyrin ring system shows no marked deviation from planarity. In the crystal, the CuTCNPP molecules and two nitrobenzene molecules are face-toface stacked in an alternating fashion, resulting in corrugated layers. The remaining nitrobenzene guest molecule per CuTCNPP resides in the region between four neighbouring columnar stacks of CuTCNPP and sandwiched nitrobenzene molecules, and is disordered over four positions about a centre of symmetry.

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Language(s): eng - English
 Dates: 2016-07-292016-10-032016-11
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1107/S2053229616015515
 Degree: -

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Title: Acta Crystallographica, Section C: Crystal Structure Communications
  Other : Acta Crystallogr., Sect. C: Cryst. Struct. Commun.
Source Genre: Journal
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Publ. Info: Copenhagen, Denmark : Published for International Union of Crystallography by Munksgaard
Pages: - Volume / Issue: 72 (11) Sequence Number: - Start / End Page: 861 - 866 Identifier: ISSN: 0108-2701
CoNE: https://pure.mpg.de/cone/journals/resource/110987085479123