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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...

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Autores principales: Leben, Lisa, Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
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.
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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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AT hergesrainer crystalstructureofmethanolko5101520tetrakis2aminophenylporphyrinatok4nzinciichloroformmethanol111