Crystal structure and optical spectroscopic analyses of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate

Crystal structure and optical spectroscopic analyses of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one hemihydrate

The asymmetric unit of the title compound, 2C17H12N2O3·H2O comprises two molecules of (E)-3-(1H-indol-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one and a water molecule. The main molecule adopts an s-cis configuration with respect to the C=O and C=C bonds. The dihedral angle between the indole ring system...

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Bibliographic Details
Main Authors: Muhamad Fikri Zaini, Ibrahim Abdul Razak, Wan Mohd Khairul, Suhana Arshad
Format: Article
Language:English
Published: International Union of Crystallography 2018-11-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
chalcone
crystal structure
DFT
UV–vis
HOMO–LUMO
Hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018014329

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http://scripts.iucr.org/cgi-bin/paper?S2056989018014329

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