Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

Crystal structure, Hirshfeld surface analysis and DFT study of (2Z)-2-(4-fluorobenzylidene)-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

The title compound, C18H12FNOS, is built up from a 4-fluorobenzylidene moiety and a dihydrobenzothiazine unit with a propynyl substituent, with the heterocyclic portion of the dihydrobenzothiazine unit adopting a shallow boat conformation with the propynyl substituent nearly perpendicular to it. The...

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Bibliographic Details
Main Authors: Brahim Hni, Nada Kheira Sebbar, Tuncer Hökelek, Younes Ouzidan, Ahmed Moussaif, Joel T. Mague, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2019-03-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
dihydrobenzothiazine
hydrogen bond
DFT
Hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019002354

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http://scripts.iucr.org/cgi-bin/paper?S2056989019002354

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