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Issue 0, 1970
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Topochemistry. Part XXIX. Crystal and molecular structures of p-methoxychalcone

Abstract

The crystal structure of 4-methoxychalcone (4-methoxybenzylideneacetophenone) has been solved from photographically recorded partial three-dimensional data and refined to R′ 0·022 and R 0·063. The C–C and C–O bond lengths have been determined with estimated standard deviations of 0·010 Å; the molecule consists of the three planar units MeOC6H4, CH[double bond, length half m-dash]CH–CO, and C6H5, the angle between the planar units being 4·5 and 11·5°.

The molecules are packed in two sets of screw-axis related stacks along the a axis; the shortest contact (4·2 Å) of [double bond splayed left]C[double bond, length half m-dash]C[double bond splayed right] groups occurs in the stacks along [100]; all other contacts are >5 Å. The formation of the cyclobutane dimer of molecular symmetry m therefore follows the topochemical rules deduced in the photo-cyclo-dimerisation of αβ-unsaturated acids and derivatives.

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J. Chem. Soc. B, 1970, 6-10
Article type
Paper

Topochemistry. Part XXIX. Crystal and molecular structures of p-methoxychalcone

D. Rabinovich and G. M. J. Schmidt, J. Chem. Soc. B, 1970, 6
DOI: 10.1039/J29700000006

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