title: 8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin.
abstract: The title compound, C(16)H(19)BrO(4), is a derivative of osthol, isolated from the seeds of Imperatoria Osthruthium. The structure was solved in space group P-1, with two molecules in the asymmetric unit, and was refined to a final R factor of 0.064. The two molecules in the asymmetric unit differ in the orientation of their brominated substituent group. The benzopyran ring displays aromatic character. The packing of the molecules in the lattice is mainly due to C-H...O hydrogen bonds.
authors.affiliation: Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
authors.forename: K
authors.initials: K
authors.lastname: Anand Solomon
authors.forename: S S
authors.initials: SS
authors.lastname: Rajan
authors.forename: G
authors.initials: G
authors.lastname: Gopalakrishnan
authors.forename: V
authors.initials: V
authors.lastname: Kashinath
authors.forename: V P
authors.initials: VP
authors.lastname: Santhana Krishnan
mesh_terms: D000893:Anti-Inflammatory Agents / Q000737:chemistry; D000935:Antifungal Agents / Q000737:chemistry; D003374:Coumarins / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008516:Medicine, Chinese Traditional; D015394:Molecular Structure; D010946:Plants, Medicinal / Q000737:chemistry; D012639:Seeds / Q000737:chemistry; D013329:Structure-Activity Relationship; D014468:Umbelliferones / Q000737:chemistry*
chemical_list: C475483:8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin; D000893:Anti-Inflammatory Agents; D000935:Antifungal Agents; D003374:Coumarins; D014468:Umbelliferones; C046627:osthol