Dataset Information

3-Chloro-phenyl 4-methyl-benzoate.

ABSTRACT: The crystal structure of the title compound 3CP4MBA, C(14)H(11)ClO(2), resembles those of 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), 4-methyl-phenyl 4-chloro-benzoate (4CP4MBA) and other aryl benzoates with similar bond parameters. The dihedral angle between the benzene rings in 3CP4MBA is 71.75?(7)°, compared with 56.82?(7)° in 3MP4MBA and 63.57?(5)° in 4MP4MBA. In the crystal structure, the mol-ecules are aligned with their long axis approximately along the [101] direction and stacked along the c axis.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2962023 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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3-Chloro-phenyl 4-methyl-benzoate.

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

Acta crystallographica. Section E, Structure reports online 20080705 Pt 8

The crystal structure of the title compound 3CP4MBA, C(14)H(11)ClO(2), resembles those of 3-methyl-phenyl 4-methyl-benzoate (3MP4MBA), 4-methyl-phenyl 4-methyl-benzoate (4MP4MBA), 4-methyl-phenyl 4-chloro-benzoate (4CP4MBA) and other aryl benzoates with similar bond parameters. The dihedral angle between the benzene rings in 3CP4MBA is 71.75 (7)°, compared with 56.82 (7)° in 3MP4MBA and 63.57 (5)° in 4MP4MBA. In the crystal structure, the mol-ecules are aligned with their long axis approximately ...[more]

PMID: 21203110

Dataset Information

3-Chloro-phenyl 4-methyl-benzoate.

Publications

3-Chloro-phenyl 4-methyl-benzoate.

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