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Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4) N]zinc(II)–chloroform–methanol (1/1/1)
In the crystal structure of the title compound, [Zn(C(44)H(32)N(8))(CH(3)OH)]·CHCl(3)·CH(3)OH, the Zn(II) cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127699/ https://www.ncbi.nlm.nih.gov/pubmed/30225118 http://dx.doi.org/10.1107/S205698901801099X |
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author | Leben, Lisa Näther, Christian Herges, Rainer |
author_facet | Leben, Lisa Näther, Christian Herges, Rainer |
author_sort | Leben, Lisa |
collection | PubMed |
description | In the crystal structure of the title compound, [Zn(C(44)H(32)N(8))(CH(3)OH)]·CHCl(3)·CH(3)OH, the Zn(II) cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the methanol molecule. The methyl group of the coordinating methanol molecule is disordered over two sets of sites. The porphyrin backbone is nearly planar and the phenyl rings are almost perpendicular to the porphyrin plane. As is typical for picket-fence porphyrins, all four ortho substituents of the meso-phenyl groups (here the amino groups) are facing to the same side of the porphyrin molecule. In the crystal structure, two neighbouring porphyrin complexes form centrosymmetric dimers that are connected via O—H⋯N hydrogen bonding. With the aid of additional N—H⋯N and C—H⋯N hydrogen bonding, these dimers are stacked into columns parallel to [010] that are finally arranged into layers parallel to (001). Between these layers channels are formed where chloroform solvent molecules are located that are connected to the porphyrin complexes by weak C—H⋯Cl hydrogen bonding. There are additional cavities in the structure where some small residual electron density is found, indicating the presence of disordered methanol molecules, but a reasonable model could not be refined. Therefore the contribution of the electron density associated with the methanol solvent molecule was removed with the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. Nevertheless, the given chemical formula and other crystal data take into account the methanol solvent molecule. |
format | Online Article Text |
id | pubmed-6127699 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-61276992018-09-17 Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4) N]zinc(II)–chloroform–methanol (1/1/1) Leben, Lisa Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, [Zn(C(44)H(32)N(8))(CH(3)OH)]·CHCl(3)·CH(3)OH, the Zn(II) cation is coordinated by four porphyrin N and one methanol O atom within a slightly distorted square-pyramidal environment and is shifted out of the porphyrin plane towards the direction of the methanol molecule. The methyl group of the coordinating methanol molecule is disordered over two sets of sites. The porphyrin backbone is nearly planar and the phenyl rings are almost perpendicular to the porphyrin plane. As is typical for picket-fence porphyrins, all four ortho substituents of the meso-phenyl groups (here the amino groups) are facing to the same side of the porphyrin molecule. In the crystal structure, two neighbouring porphyrin complexes form centrosymmetric dimers that are connected via O—H⋯N hydrogen bonding. With the aid of additional N—H⋯N and C—H⋯N hydrogen bonding, these dimers are stacked into columns parallel to [010] that are finally arranged into layers parallel to (001). Between these layers channels are formed where chloroform solvent molecules are located that are connected to the porphyrin complexes by weak C—H⋯Cl hydrogen bonding. There are additional cavities in the structure where some small residual electron density is found, indicating the presence of disordered methanol molecules, but a reasonable model could not be refined. Therefore the contribution of the electron density associated with the methanol solvent molecule was removed with the SQUEEZE procedure [Spek (2015 ▸). Acta Cryst. C71, 9–18] in PLATON. Nevertheless, the given chemical formula and other crystal data take into account the methanol solvent molecule. International Union of Crystallography 2018-08-21 /pmc/articles/PMC6127699/ /pubmed/30225118 http://dx.doi.org/10.1107/S205698901801099X Text en © Leben et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Leben, Lisa Näther, Christian Herges, Rainer Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4) N]zinc(II)–chloroform–methanol (1/1/1) |
title | Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
N]zinc(II)–chloroform–methanol (1/1/1) |
title_full | Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
N]zinc(II)–chloroform–methanol (1/1/1) |
title_fullStr | Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
N]zinc(II)–chloroform–methanol (1/1/1) |
title_full_unstemmed | Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
N]zinc(II)–chloroform–methanol (1/1/1) |
title_short | Crystal structure of (methanol-κO)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
N]zinc(II)–chloroform–methanol (1/1/1) |
title_sort | crystal structure of (methanol-κo)[5,10,15,20-tetrakis(2-aminophenyl)porphyrinato-κ(4)
n]zinc(ii)–chloroform–methanol (1/1/1) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6127699/ https://www.ncbi.nlm.nih.gov/pubmed/30225118 http://dx.doi.org/10.1107/S205698901801099X |
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