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2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.

ABSTRACT: The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18?(3)°. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-H?? contact between the benzoic acid and 4-chloro-benzyl rings.

SUBMITTER: Abid OU

PROVIDER: S-EPMC2959499 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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2-[(4-Chloro-benz-yl)carbonyl-meth-yl]benzoic acid.

Abid Obaid-Ur-Rahman OU Qadeer Ghulam G Rama Nasim Hasan NH Ruzicka Ales A

Acta crystallographica. Section E, Structure reports online 20081025 Pt 11

The title compound, C(16)H(13)ClO(3), is an important inter-mediate in the conversion of isocoumarin to 3,4-dihydro-isocoumarin. The two aromatic rings are oriented at a dihedral angle of 67.18 (3)°. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. There is also a C-H⋯π contact between the benzoic acid and 4-chloro-benzyl rings. ...[more]

PMID: 21581063

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