Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one

Crystal structure and theoretical studies of two π-conjugated fused-ring chalcones: (E)-1-(anthracen-9-yl)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-en-1-one and (E)-1-(anthracen-9-yl)-3-[4-(9H-carbazol-9-yl)phenyl]prop-2-en-1-one

The title chalcones, C31H23NO and C35H23NO, were synthesized via Claisen–Schmidt condensation reactions. Both structures were solved and refined using single-crystal X-ray diffraction data and optimized at the ground state using the density functional theory (DFT) method with the B3LYP/6-311++G(d,p)...

Full description

Bibliographic Details
Main Authors: Dian Alwani Zainuri, Ibrahim Abdul Razak, Suhana Arshad
Format: Article
Language:English
Published: International Union of Crystallography 2018-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
chalcone
anthracene
crystal structure
DFT
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018011131

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989018011131

Similar Items