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. 2003 Jan;59(Pt 1):O40-1.
doi: 10.1107/s0108270102020838. Epub 2002 Dec 17.

8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

K Anand Solomon  1 , S S Rajan, G Gopalakrishnan, V Kashinath, V P Santhana Krishnan
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8-(2-bromo-3-methoxy-3-methylbutyl)-7-methoxycoumarin

K Anand Solomon et al. Acta Crystallogr C. 2003 Jan.

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.

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