2-Oxo-2H-chromen-7-yl tert-butylacetate

IUCrData Pub Date : 2025-03-01 Epub Date: 2025-03-04 DOI:10.1107/S2414314625001890

Hypolite Bazié , Eric Ziki , Sorgho Brahima , Veroarisinima Ratsimbazafy , Patrick Roge , Emmanuel Wenger , Abdoulaye Djandé , Claude Lecomte

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Abstract

In the title compound, the dihedral angle between the 2H-chromen-2-one ring system and the tert-butylacetate moiety is 72.72 (9)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds, generating C(6) chains and R₂²(20) loops that are reinforced by weak aromatic π–π stacking interactions.

In the title compound, C₁₅H₁₆O₄, the dihedral angle between the 2H-chromen-2-one ring system and the tert-butylacetate moiety is 72.72 (9)°. In the crystal, the molecules are connected through C—H⋯O hydrogen bonds, generating C(6) chains and R₂²(20) loops that are reinforced by weak aromatic π–π stacking interactions. 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.

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2-Oxo-2H-chromen-7-yl tert-butyl-acetate

在标题化合物中，2h -铬-2- 1环体系与乙酸叔丁酯部分之间的二面角为72.72(9)°。在晶体中，分子通过C - h⋯O氢键连接，产生C(6)链和R22（20）环，这些环通过弱芳香π -π堆叠相互作用加强。在标题化合物C15H16O4中，2h - chromen2 - 1环体系与乙酸叔丁酯部分之间的二面角为72.72(9)°。在晶体中，分子通过C - h⋯O氢键连接，产生C(6)链和R22（20）环，这些环通过弱芳香π -π堆叠相互作用加强。H⋯H、H⋯O/O⋯H、H⋯C/C⋯H和C⋯C接触对Hirshfeld表面的贡献分别为50.6%、29.1%、8.5%和6.8%。下载：下载高清图片（193KB）下载：下载全尺寸图片

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