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2-Oxo-2H-chromen-4-yl 4-methyl-benzoate.

ABSTRACT: The asymmetric unit of the title compound, C17H12O4, consists of two independent mol-ecules. The chromen-2-one ring and the 4-methyl-benzoate side chain are inclined to one another at a dihedral angle of 64.79?(10)° in one mol-ecule and 88.3?(1)° in the other. In the crystal, mol-ecules form R 2 (2)(8) centrosymmetric dimers via C-H?O hydrogen bonds. These dimers are stacked by C-H?O hydrogen bonds, resulting in R 2 (2)(18) and R 3 (2)(16) ring motifs. ?-? stacking inter-actions between two parallel chromen-2-one rings, with centroid-centroid distances of 3.743?(1) and 3.771?(1)?Å, are also present.

SUBMITTER: Abou A

PROVIDER: S-EPMC3770361 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-Oxo-2H-chromen-4-yl 4-methyl-benzoate.

Abou Akoun A Djandé Abdoulaye A Kakou-Yao Rita R Saba Adama A Tenon Abodou Jules AJ

Acta crystallographica. Section E, Structure reports online 20130612 Pt 7

The asymmetric unit of the title compound, C17H12O4, consists of two independent mol-ecules. The chromen-2-one ring and the 4-methyl-benzoate side chain are inclined to one another at a dihedral angle of 64.79 (10)° in one mol-ecule and 88.3 (1)° in the other. In the crystal, mol-ecules form R 2 (2)(8) centrosymmetric dimers via C-H⋯O hydrogen bonds. These dimers are stacked by C-H⋯O hydrogen bonds, resulting in R 2 (2)(18) and R 3 (2)(16) ring motifs. π-π stacking inter-actions between two para ...[more]

PMID: 24046646

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