title: 1-(4-iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid, an iodinated indomethacin analog.
abstract: The crystal structure of 1-(4-iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid, C19H16INO4, an analog of indomethacin, is reported. Bond distances and angles in the title compound closely resemble those reported for indomethacin and reflect the presence of steric strain at the site of the linkage between the 4-iodobenzoyl group and the indole moiety. The orientation of the 4-iodobenzoyl group with respect to the indole ring is not the same in the title compound as it is in indomethacin; the two structures are related by a rotation of 186 degrees about the C2--N1--C10--C11 torsion angle.
authors.affiliation: Department of Biochemistry and Molecular Biology, University of Chicago, IL 60637, USA.
authors.forename: P J
authors.initials: PJ
authors.lastname: Loll
authors.forename: R M
authors.initials: RM
authors.lastname: Garavito
authors.forename: C J
authors.initials: CJ
authors.lastname: Carrell
authors.forename: H L
authors.initials: HL
authors.lastname: Carrell
mesh_terms: D018360:Crystallography, X-Ray; D007213:Indomethacin / Q000031:analogs & derivatives* / Q000737:chemistry; D008968:Molecular Conformation
chemical_list: C101266:1-(4-iodobenzoyl)-5-methoxy-2-methyl-3-indoleacetic acid; D007213:Indomethacin