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Synthesis, crystal structure and Hirshfeld surface analysis of tert-butyl 4-[4-(difluoromethoxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate.

Authors :
Pehlivanlar, Ezgi
Yildirim, Sema Öztürk
Sim$ek, Rahime
Akkurt, Mehmet
Butcher, Ray J.
Bhattarai, Ajaya
Source :
Acta Crystallographica Section E: Crystallographic Communications; Jul2023, Vol. 79 Issue 8, p664-668, 12p
Publication Year :
2023

Abstract

The 1,4-dihydropyridine ring of the title compound, C24H29F2NO4, adopts a distorted boat conformation, while the cyclohexene ring is in an almost twistboat conformation. In the crystal, N--H--O and C--H--O hydrogen bonds as well as C--H--tt interactions connect molecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C--H--F interactions, which consolidate the crystal structure. Hirshfeld surface analysis shows the major contributions to the crystal packing are from H--H (54.1%), F--H/H--F (16.9%), O--H/H--O (15.4%) and C--H/H--C (12.6%) contacts. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
20569890
Volume :
79
Issue :
8
Database :
Complementary Index
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
169779238
Full Text :
https://doi.org/10.1107/S2056989023005455