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Issue 0, 1970
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Topochemistry. Part XXX. Crystal and molecular structures of chalcone

Abstract

The crystal structure of benzylideneacetophenone (chalcone) has been solved from photographically recorded partial three-dimensional data by means of the SEARCH computer programme and refined to discrepancy indices R′= 0·017 and R= 0·055. The C–C and C–O bond lengths have been determined with estimated standard deviations of 0·009 Å. The two essentially planar phenyl units are linked by a non-planar cisoid 1,3-enone bridge twisted about the C–C bond by 16·9°.

The molecules are arranged in alternating layers related by the two-fold screw axis along [001]; no short (<4·3 Å)[double bond splayed left]C[double bond, length half m-dash]C[double bond splayed right] contact exists.

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J. Chem. Soc. B, 1970, 11-16
Article type
Paper

Topochemistry. Part XXX. Crystal and molecular structures of chalcone

D. Rabinovich, J. Chem. Soc. B, 1970, 11
DOI: 10.1039/J29700000011

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