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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...

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Autores principales: Park, Ki-Min, Moon, Suk-Hee, Kang, Youngjin
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
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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)].
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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
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