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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6658935 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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