Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one

Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one

In the title compound, C18H19NO3S, the morpholine ring adopts a chair conformation. The thiophene ring forms dihedral angles of 26.04 (9) and 74.07 (10)° with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O—H...N hydrogen bon...

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Bibliographic Details
Main Authors: Fatma Yesilyurt, Abdullah Aydin, Halise Inci Gul, Mehmet Akkurt, Nefise Dilek Ozcelik
Format: Article
Language:English
Published: International Union of Crystallography 2018-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
theoretical study
quantum-chemical calculation
chalcones
Mannich bases
HOMO
LUMO
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018008459

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989018008459

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