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Phenyl 4-methyl-benzoate.

ABSTRACT: The structure of the title compound, C(14)H(12)O(2), resembles those of phenyl benzoate and 4-methyl-phenyl benzoate, with similar bond parameters. The two aromatic rings make a dihedral angle of 76.0?(1)°. The plane of the central -C(=O)-O- group is twisted by 9.4?(2)° out of the plane of the benzoyl ring, and by 83.3?(1)° out of the plane of the phenyl ring. The crystal structure exhibits weak parallel stacking of the benzoyl rings, with an inter-planar distance of 3.65?Å and an offset of 1.84?Å. The methyl group shows orientational disorder.

SUBMITTER: Gowda BT 

PROVIDER: S-EPMC2971075 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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Phenyl 4-methyl-benzoate.

Gowda B Thimme BT   Tokarčík Miroslav M   Kožíšek Jozef J   Suchetan P A PA   Fuess Hartmut H  

Acta crystallographica. Section E, Structure reports online 20091003 Pt 11

The structure of the title compound, C(14)H(12)O(2), resembles those of phenyl benzoate and 4-methyl-phenyl benzoate, with similar bond parameters. The two aromatic rings make a dihedral angle of 76.0 (1)°. The plane of the central -C(=O)-O- group is twisted by 9.4 (2)° out of the plane of the benzoyl ring, and by 83.3 (1)° out of the plane of the phenyl ring. The crystal structure exhibits weak parallel stacking of the benzoyl rings, with an inter-planar distance of 3.65 Å and an offset of 1.84  ...[more]

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