2-氧代-2-色烯-7-基-丁基-乙酸酯
2-Oxo-2-chromen-7-yl -butyl-acetate.
作者信息
Bazié Hypolite, Ziki Eric, Brahima Sorgho, Ratsimbazafy Veroarisinima, Roge Patrick, Wenger Emmanuel, Djandé Abdoulaye, Lecomte Claude
机构信息
Laboratory of Molecular Chemistry and Materials (LC2M), University Joseph KI-ZERBO, 03 BP 7021 Ouagadougou 03, Burkina Faso.
Laboratory of Matter Environmental and Solar Energy Sciences Research Team: Crystallography and Molecular Physics University Félix Houphouët-Boigny 08 BP 582 Abidjan 22 Côte d'Ivoire.
出版信息
IUCrdata. 2025 Mar 4;10(Pt 3):x250189. doi: 10.1107/S2414314625001890. eCollection 2025 Mar.
In the title compound, CHO, the dihedral angle between the 2-chromen-2-one ring system and the -butyl-acetate moiety is 72.72 (9)°. In the crystal, the mol-ecules are connected through C-H⋯O hydrogen bonds, generating (6) chains and (20) loops that are reinforced by weak aromatic π-π stacking inter-actions. The H⋯H, H⋯O/O⋯H, H⋯C/C⋯H and C⋯C contacts contribute 50.6, 29.1, 8.5 and 6.8%, respectively, to the Hirshfeld surface.
在标题化合物CHO中，2-色烯-2-酮环系与丁基乙酸酯部分之间的二面角为72.72 (9)°。在晶体中，分子通过C—H⋯O氢键相连，形成(6)链和(20)环，这些链和环通过弱芳香π-π堆积相互作用得到加强。H⋯H、H⋯O/O⋯H、H⋯C/C⋯H和C⋯C接触分别对Hirshfeld表面贡献50.6%、29.1%、8.5%和6.8%。
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