Acta Crystallographica Section C

Crystal Structure Communications

Volume 60, Part 4 (April 2004)

sx1129 scheme

Acta Cryst. (2004). C60, o239-o241 [doi:10.1107/S0108270104003087]

Isochroman derivatives and their tendency to crystallize in chiral space groups

M. Palusiak, A. Pfitzner, M. Zabel, S. J. Grabowski, J. Epsztajn and J. A. Kowalska

Abstract: In methyl [5-methoxy-4-(4-methoxyphenyl)isochroman-3-yl]acetate, C₂₀H₂₂O₅, (I), and methyl [4-(2,5-dimethoxyphenyl)-8-methoxyisochroman-3-yl]acetate, C₂₁H₂₄O₆, (II), the heterocyclic rings adopt half-chair conformations. The substituents at the 3- and 4-positions are in a trans configuration in both (I) and (II), being in an axial conformation in (I) and in an equatorial conformation in (II). The crystal structure of (I) is stabilized by weak C-HO hydrogen bonding, leading to the formation of an infinite three-dimensional network. Compound (II) crystallizes in a chiral space group. This feature, which was also found in previously investigated isochroman derivatives, is related to the arrangement of substituents attached to the isochroman moiety.

Formula: C₂₀H₂₂O₅ and C₂₁H₂₄O₆

Online 11 March 2004


	Structure factor file (CIF format) (160.3 kbytes) Contains datablock I

	Structure factor file (CIF format) (102.1 kbytes) Contains datablock II

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