Crystal structure and Hirshfeld surface analysis of 3,4-di-hydro-2H-anthra[1,2-b][1,4]dioxepine-8,13-dione.
作者： Sofia Zazouli , Mohammed Chigr , Ahmed Jouaiti , Nathalie Kyritsakas , El Mostafa Ketatni
DOI: 10.1107/S2056989020003965
关键词:
摘要: The title compound, C17H12O4, was synthesized from the dye alizarin. dihedral angle between mean plane of anthraquinone ring system (r.m.s. deviation = 0.039 A) and dioxepine is 16.29 (8)°. In crystal, molecules are linked by C—H⋯O hydrogen bonds, forming sheets lying parallel to ab plane. connected through π–π C=O⋯π interactions generate a three-dimensional supramolecular network. Hirshfeld surface analysis used investigate intermolecular in solid-state: most important contributions H⋯H (43.0%), H⋯O/O⋯H (27%), H⋯C/C⋯H (13.8%) C⋯C (12.4%) contacts.
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