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Dimethyl 9,10-anthracenediacarboxylate: a centrosymmetric transoid molecule

Lookup NU author(s): Dr Simon Jones, Jonathan Atherton, Dr Mark Elsegood, Emeritus Professor Bill Clegg


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In the crystal structure of the title compound, C18H14O4, there are two independent molecules, both of which are exactly centrosymmetric and therefore have a transoid arrangement of the ester substituents. The planes of these are inclined at 63.90 (4) and 61.02 (5)° to the anthracene central ring in the two molecules because of steric interactions, preventing electronic delocalization. The observed conformation is in agreement with molecular-modelling calculations for the isolated molecule, indicating no major influence from crystal-packing forces.

Publication metadata

Author(s): Jones S, Atherton JCC, Elsegood MRJ, Clegg W

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica, Section C: Crystal Structure Communications

Year: 2000

Volume: 56

Issue: 7

Pages: 881-883

ISSN (print): 0108-2701

ISSN (electronic): 1600-5759

Publisher: Wiley-Blackwell Publishing Ltd.


DOI: 10.1107/S0108270100004972


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