The effect of the fused-ring substituent on anthracene chalcones: crystal structural and DFT studies of 1-(anthracen-9-yl)-3-(naphthalen-2-yl)prop-2-en-1-one and 1-(anthracen-9-yl)-3-(pyren-1-yl)prop-2-en-1-one

Acta Crystallographica Section E
Acta Crystallographica
Section E CRYSTALLOGRAPHIC COMMUNICATIONS

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Figure 1
(a) The molecular structure of compound (I)

and (II)

, with displacement ellipsoids drawn at the 50% probability level; (b) the optimized structure of compound (I)

and (II)

at DFT/B3LYP 6–311++G(d,p).

CRYSTALLOGRAPHIC
COMMUNICATIONS

ISSN: 2056-9890

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