Acta Cryst. (2009). E65, o734-o735  [ doi:10.1107/S160053680900806X ]

Methyl 3-hydroxy-4-(3-methylbut-2-enyloxy)benzoate

M. Wei, Z. Liu, X. Zhang, C. Shao and C. Wang

Abstract: The title compound, C₁₃H₁₆O₄, was isolated from culture extracts of the endophytic fungus Cephalosporium sp. The ester and ether substituents are twisted only slightly out of the benzene ring plane, making dihedral angles of 2.16 (2) and 3.63 (5)°, respectively. The non-H atoms of all three substituents are almost coplanar with the benzene ring, with an r.m.s. deviation of 0.0284 Å from the mean plane through all non-H atoms in the structure. A weak intramolecular O-HO hydrogen bond contributes to this conformation. In the crystal structure, molecules are linked into a one-dimensional chain by intermolecular O-HO hydrogen bonds. Weak non-classical C-H contacts are also observed in the structure.

Online 11 March 2009

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