Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate

Crystal structure, Hirshfeld surface analysis, and DFT and molecular docking studies of 6-cyanonaphthalen-2-yl 4-(benzyloxy)benzoate

In the title compound, C25H17NO3, the torsion angle associated with the phenyl benzoate group is −173.7 (2)° and that for the benzyloxy group is −174.8 (2)° establishing an anti-type conformation. The dihedral angles between the ten-membered cyanonaphthalene ring and the aromatic ring of the phenyl...

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Bibliographic Details
Main Authors: Mahadevaiah Harish Kumar, Shivakumar Santhosh Kumar, Hirehalli Chikkegowda Devarajegowda, Hosapalya Thimmaiah Srinivasa, Bandrehalli Siddagangaiah Palakshamurthy
Format: Article
Language:English
Published: International Union of Crystallography 2024-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
hirshfeld surface
dft
4-(benzyloxy)benzoate
cyanonapthalene and molecular docking
intermolecular interactions
Online Access:https://journals.iucr.org/paper?S2056989024009964
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