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2,3-Dimethyl-phenyl benzoate.

ABSTRACT: The structure of the title compound (23DMPBA), C(15)H(14)O(2), resembles those of phenyl benzoate (PBA), 3-methyl-phenyl benzoate (3MePBA), 2,6-dichloro-phenyl benzoate (26DC-PBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 23DMPBA is 87.36?(6)°, compared with values of 55.7° in PBA, 79.61?(6)° in 3MePBA and 75.75?(10)° in 26DCPBA. The mol-ecules in 23DMPBA are packed into a chain-like structure in the direction of the a axis.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2961320 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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2,3-Dimethyl-phenyl benzoate.

Gowda B Thimme BT Foro Sabine S Babitha K S KS Fuess Hartmut H

Acta crystallographica. Section E, Structure reports online 20080416 Pt 5

The structure of the title compound (23DMPBA), C(15)H(14)O(2), resembles those of phenyl benzoate (PBA), 3-methyl-phenyl benzoate (3MePBA), 2,6-dichloro-phenyl benzoate (26DC-PBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 23DMPBA is 87.36 (6)°, compared with values of 55.7° in PBA, 79.61 (6)° in 3MePBA and 75.75 (10)° in 26DCPBA. The mol-ecules in 23DMPBA are packed into a chain-like structure in the direction of the a axi ...[more]

PMID: 21202332

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