Crystal structure and Hirshfeld surface analysis of 1,2-bis(2′,6′-diisopropoxy-[2,3′-bipyridin]-6-yl)benzene

Acta Crystallographica Section E: Crystallographic Communications

Suk-Hee Moon¹  Youngjin Kang²  Ki-Min Park³ 

[1] Department of Food and Nutrition, Kyungnam College of Information and Technology, Busan 47011, Republic of Korea;Divisionof Science Education, Kangwon National University, Chuncheon 24341, Republic of Korea;Research Institute of Natural Science, Gyeongsang National University, Jinju, 52828, Republic of Korea;

关键词: crystal structure;    dipyridyl derivative;    isopropoxy substituent;    helical structure;    Hirshfeld surface analysis;   

DOI  :  10.1107/S2056989018013002

来源: DOAJ

【 摘 要 】

The title molecule, C38H42N4O4, 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)].

【 授权许可】

Unknown