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3-Chloro-phenyl benzoate.

ABSTRACT: The C=O group in the title compound, C(13)H(9)ClO(2), is syn to the chloro group. The two aromatic rings are twisted by 56.88?(6)°. Adjacent mol-ecules are linked via weak C-H?O hydrogen bonding into a linear chain.

SUBMITTER: Gowda BT

PROVIDER: S-EPMC2962204 | biostudies-literature | 2008 Jul

REPOSITORIES: biostudies-literature

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3-Chloro-phenyl benzoate.

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

Acta crystallographica. Section E, Structure reports online 20080726 Pt 8

The C=O group in the title compound, C(13)H(9)ClO(2), is syn to the chloro group. The two aromatic rings are twisted by 56.88 (6)°. Adjacent mol-ecules are linked via weak C-H⋯O hydrogen bonding into a linear chain. ...[more]

PMID: 21203285

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4-Chloro-phenyl 4-methyl-benzoate.

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Project description:In the title benzoate derivative, C13H6ClN3O8, the planes of the benzene rings form a dihedral angle of 63.46?(5)°. The dihedral angles between the benzene ring and its nitro groups are 12.78?(16)° for the first ortho, 28.4?(4) and 17.4?(4)° for the second (disordered) ortho and 3.58?(16)° for the para nitro group. The central ester moiety, -C-(C=O)-O-, is essentially planar (r.m.s. deviation for all non-H atoms = 0.0229?Å) and forms dihedral angles of 7.37?(14)° with the chloro-substituted benzene ring and 69.85?(6)° with the trinitro-substituted benzene ring. One of the nitro groups was refined as disordered over two sets of sites with fixed site occupancies of 0.61 and 0.39. In the crystal, mol-ecules are linked by weak C-H?O hydrogen bonds, forming a three-dimensional network.

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