2-Oxo-2<i>H</i>-chromen-7-yl <i>tert</i>-butylacetate

In the title compound, C<sub>15</sub>H<sub>16</sub>O<sub>4</sub>, the dihedral angle between the 2<i>H</i>-chromen-2-one ring system and the <i>tert</i>-butyl-acetate moiety is 72.72 (9)°. In the crystal, the mol-ecules are connected through C-H⋯O hydrogen bonds, generating <i>C</i>(6) chains and <i>R</i> <sub>2</sub> <sup>2</sup>(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.

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IUCrData
Published
2025-03-04
DOI
https://doi.org/10.1107/s2414314625001890
Primary Topic
Synthesis of Organic Compounds
Type
article
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article

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

Eric Ziki, Emmanuel Wenger, Abdoulaye Djandé, Claude Lecomte et al.
IUCrData
Synthesis of Organic Compounds
article

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

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

Abstract

In the title compound, C<sub>15</sub>H<sub>16</sub>O<sub>4</sub>, the dihedral angle between the 2<i>H</i>-chromen-2-one ring system and the <i>tert</i>-butyl-acetate moiety is 72.72 (9)°. In the crystal, the mol-ecules are connected through C-H⋯O hydrogen bonds, generating <i>C</i>(6) chains and <i>R</i> <sub>2</sub> <sup>2</sup>(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.

IUCrDataVol. 10(3)
Centre National de la Recherche Scientifique (FR), Université Joseph Ki-Zerbo (BF), University of Antananarivo (MG), Laboratoire de Cristallographie, Résonance Magnétique et Modélisations (FR), Université Félix Houphouët-Boigny (CI), Université de Lorraine (FR)
Openalex Percentile: Top 95%
Synthesis of Organic Compounds
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