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Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine
In the title compound, C(24)H(22)N(4)O(4), the four pyridine rings are tilted slightly with respect to each other. The dihedral angles between the inner and outer pyridine rings are 12.51 (8) and 9.67 (9)°, while that between inner pyridine rings is 20.10 (7)°. Within the molecule, intramolecular...
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/PMC6775728/ https://www.ncbi.nlm.nih.gov/pubmed/31636984 http://dx.doi.org/10.1107/S205698901901274X |
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author | Moon, Suk-Hee Kim, Jinho Park, Ki-Min Kang, Youngjin |
author_facet | Moon, Suk-Hee Kim, Jinho Park, Ki-Min Kang, Youngjin |
author_sort | Moon, Suk-Hee |
collection | PubMed |
description | In the title compound, C(24)H(22)N(4)O(4), the four pyridine rings are tilted slightly with respect to each other. The dihedral angles between the inner and outer pyridine rings are 12.51 (8) and 9.67 (9)°, while that between inner pyridine rings is 20.10 (7)°. Within the molecule, intramolecular C—H⋯O and C—H⋯N contacts are observed. In the crystal, adjacent molecules are linked by π–π stacking interactions between pyridine rings and weak C—H⋯π interactions between a methyl H atom and the centroid of a pyridine ring, forming a two-dimensional layer structure extending parallel to the ac plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (52.9%) and H⋯C/C⋯H (17.3%) contacts. |
format | Online Article Text |
id | pubmed-6775728 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-67757282019-10-21 Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine Moon, Suk-Hee Kim, Jinho Park, Ki-Min Kang, Youngjin Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(24)H(22)N(4)O(4), the four pyridine rings are tilted slightly with respect to each other. The dihedral angles between the inner and outer pyridine rings are 12.51 (8) and 9.67 (9)°, while that between inner pyridine rings is 20.10 (7)°. Within the molecule, intramolecular C—H⋯O and C—H⋯N contacts are observed. In the crystal, adjacent molecules are linked by π–π stacking interactions between pyridine rings and weak C—H⋯π interactions between a methyl H atom and the centroid of a pyridine ring, forming a two-dimensional layer structure extending parallel to the ac plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (52.9%) and H⋯C/C⋯H (17.3%) contacts. International Union of Crystallography 2019-09-20 /pmc/articles/PMC6775728/ /pubmed/31636984 http://dx.doi.org/10.1107/S205698901901274X Text en © Moon 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 Moon, Suk-Hee Kim, Jinho Park, Ki-Min Kang, Youngjin Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title | Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title_full | Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title_short | Crystal structure and Hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
title_sort | crystal structure and hirshfeld surface analysis of 2,2′′′,6,6′′′-tetramethoxy-3,2′:5′,3′′:6′′,3′′′-quaterpyridine |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775728/ https://www.ncbi.nlm.nih.gov/pubmed/31636984 http://dx.doi.org/10.1107/S205698901901274X |
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