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Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate

The asymmetric unit of the title compound, [Ni(C(52)H(34)Cl(4)N(4)O(4))]·CH(2)Cl(2), consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each Ni(II) cation is coordinated by four nitro­gen atoms of a porphyrin mol­ecule within a square-planar...

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Autores principales: Peters, Morten K., Näther, Christian, Herges, Rainer
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658935/
https://www.ncbi.nlm.nih.gov/pubmed/31391996
http://dx.doi.org/10.1107/S2056989019007527
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author Peters, Morten K.
Näther, Christian
Herges, Rainer
author_facet Peters, Morten K.
Näther, Christian
Herges, Rainer
author_sort Peters, Morten K.
collection PubMed
description The asymmetric unit of the title compound, [Ni(C(52)H(34)Cl(4)N(4)O(4))]·CH(2)Cl(2), consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each Ni(II) cation is coordinated by four nitro­gen atoms of a porphyrin mol­ecule within a square-planar coordination environment. Weak intra­molecular C—H⋯Cl and C—H⋯O inter­actions stabilize the mol­ecular conformation. In the crystal structure, discrete complexes are linked by C—H⋯Cl hydrogen-bonding inter­actions. In addition, the two unique di­chloro­methane solvate mol­ecules (one being disordered) are hydrogen-bonded to the Cl atoms of the chloro­phenyl groups of the porphyrin mol­ecules, thus stabilizing the three-dimensional arrangement. The crystal exhibits pseudo-ortho­rhom­bic metrics, but structure refinements clearly show that the crystal system is monoclinic and that the crystal is twinned by pseudo-merohedry.
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spelling pubmed-66589352019-08-07 Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate Peters, Morten K. Näther, Christian Herges, Rainer Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the title compound, [Ni(C(52)H(34)Cl(4)N(4)O(4))]·CH(2)Cl(2), consists of two discrete complexes, which show significant differences in the conformation of the side chain. Each Ni(II) cation is coordinated by four nitro­gen atoms of a porphyrin mol­ecule within a square-planar coordination environment. Weak intra­molecular C—H⋯Cl and C—H⋯O inter­actions stabilize the mol­ecular conformation. In the crystal structure, discrete complexes are linked by C—H⋯Cl hydrogen-bonding inter­actions. In addition, the two unique di­chloro­methane solvate mol­ecules (one being disordered) are hydrogen-bonded to the Cl atoms of the chloro­phenyl groups of the porphyrin mol­ecules, thus stabilizing the three-dimensional arrangement. The crystal exhibits pseudo-ortho­rhom­bic metrics, but structure refinements clearly show that the crystal system is monoclinic and that the crystal is twinned by pseudo-merohedry. International Union of Crystallography 2019-05-31 /pmc/articles/PMC6658935/ /pubmed/31391996 http://dx.doi.org/10.1107/S2056989019007527 Text en © Peters et al. 2019 http://creativecommons.org/licenses/by/4.0/ 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/4.0/
spellingShingle Research Communications
Peters, Morten K.
Näther, Christian
Herges, Rainer
Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title_full Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title_fullStr Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title_full_unstemmed Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title_short Crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(II)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
title_sort crystal structure of 2(10),2(20)-bis­(2,6-di­chloro­phen­yl)-4,7,12,15-tetra­oxa-2(5,15)-nickel(ii)porpyhrina-1,3(1,2)-dibenzena-cyclo­hepta­deca­phane-9-yne di­chloro­methane monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6658935/
https://www.ncbi.nlm.nih.gov/pubmed/31391996
http://dx.doi.org/10.1107/S2056989019007527
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