Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 9-(3-bromo-4-hydroxy-5-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione

In the fused ring system of the title compound, C24H27BrO5, the mean plane and maximum deviations of the central pyran ring are 0.0384 (2) and 0.0733 (2) Å, respectively. The cyclohexenone rings both adopt envelope conformations with the tetra-substituted C atoms as flap atoms, whereas the central p...

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Bibliographic Details
Main Authors: N. Suresh Babu, V. Sughanya, D. Praveenkumar, M. L. Sundararajan
Format: Article
Language:English
Published: International Union of Crystallography 2021-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dimedone
xanthene
xanthenedione
pyran ring
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021010690

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http://scripts.iucr.org/cgi-bin/paper?S2056989021010690

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