Cargando…
Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene
The title molecule, C(38)H(42)N(4)O(4), displays a helical structure induced by the combination of the C—C—C—C torsion angle [−10.8 (2)°] between two 2,3′-bipyridyl units attached to the 1,2-positions of the central benzene ring and consecutive connections between five aromatic rings through the me...
Autores principales: | , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176445/ https://www.ncbi.nlm.nih.gov/pubmed/30319805 http://dx.doi.org/10.1107/S2056989018013002 |
_version_ | 1783361704215707648 |
---|---|
author | Park, Ki-Min Moon, Suk-Hee Kang, Youngjin |
author_facet | Park, Ki-Min Moon, Suk-Hee Kang, Youngjin |
author_sort | Park, Ki-Min |
collection | PubMed |
description | The title molecule, C(38)H(42)N(4)O(4), displays a helical structure induced by the combination of the C—C—C—C torsion angle [−10.8 (2)°] between two 2,3′-bipyridyl units attached to the 1,2-positions of the central benzene ring and consecutive connections between five aromatic rings through the meta- and ortho-positions. Intramolecular C—H⋯π interactions between an H atom of a pyridine ring and the centroid of a another pyridine ring contributes to the stabilization of the helical structure. In the crystal, weak C—H⋯π interactions link the title molecules into a two-dimensional supramolecular network extending parallel to the ac plane, in which the molecules with right- and left-handed helical structures are alternately arranged. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the molecular packing is dominated by van der Waals interactions between neighbouring H atoms, as well as by C—H⋯π interactions. One isopropoxyl group is disordered over two sets of sites [occupancy ratio 0.715 (5):0.285 (5)]. |
format | Online Article Text |
id | pubmed-6176445 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-61764452018-10-12 Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene Park, Ki-Min Moon, Suk-Hee Kang, Youngjin Acta Crystallogr E Crystallogr Commun Research Communications The title molecule, C(38)H(42)N(4)O(4), displays a helical structure induced by the combination of the C—C—C—C torsion angle [−10.8 (2)°] between two 2,3′-bipyridyl units attached to the 1,2-positions of the central benzene ring and consecutive connections between five aromatic rings through the meta- and ortho-positions. Intramolecular C—H⋯π interactions between an H atom of a pyridine ring and the centroid of a another pyridine ring contributes to the stabilization of the helical structure. In the crystal, weak C—H⋯π interactions link the title molecules into a two-dimensional supramolecular network extending parallel to the ac plane, in which the molecules with right- and left-handed helical structures are alternately arranged. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the molecular packing is dominated by van der Waals interactions between neighbouring H atoms, as well as by C—H⋯π interactions. One isopropoxyl group is disordered over two sets of sites [occupancy ratio 0.715 (5):0.285 (5)]. International Union of Crystallography 2018-09-25 /pmc/articles/PMC6176445/ /pubmed/30319805 http://dx.doi.org/10.1107/S2056989018013002 Text en © Park 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 Park, Ki-Min Moon, Suk-Hee Kang, Youngjin Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title | Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title_full | Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title_fullStr | Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title_full_unstemmed | Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title_short | Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
title_sort | crystal structure and hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6176445/ https://www.ncbi.nlm.nih.gov/pubmed/30319805 http://dx.doi.org/10.1107/S2056989018013002 |
work_keys_str_mv | AT parkkimin crystalstructureandhirshfeldsurfaceanalysisof12bis26diisopropoxy23bipyridin6ylbenzene AT moonsukhee crystalstructureandhirshfeldsurfaceanalysisof12bis26diisopropoxy23bipyridin6ylbenzene AT kangyoungjin crystalstructureandhirshfeldsurfaceanalysisof12bis26diisopropoxy23bipyridin6ylbenzene |