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. 2008 Apr 16;64(Pt 5):o844.
doi: 10.1107/S160053680800963X.

2,3-Dimethyl-phenyl benzoate

B Thimme Gowda, Sabine Foro, K S Babitha, Hartmut Fuess

2,3-Dimethyl-phenyl benzoate

B Thimme Gowda et al. Acta Crystallogr Sect E Struct Rep Online. .

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.

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Figures

Fig. 1.
Fig. 1.
Molecular structure of the title compound, showing the atom labeling. Displacement ellipsoids are drawn at the 50% probability level.
Fig. 2.
Fig. 2.
Molecular packing of the title compound as viewed down a axis.
Fig. 3.
Fig. 3.
View of the molecule in the unit cell.
See this image and copyright information in PMC

References

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