Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2Z)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

Crystal structure, Hirshfeld surface analysis, interaction energy and DFT studies of (2Z)-2-(2,4-dichlorobenzylidene)-4-nonyl-3,4-dihydro-2H-1,4-benzothiazin-3-one

The title compound, C24H27Cl2NOS, contains 1,4-benzothiazine and 2,4-dichlorophenylmethylidene units in which the dihydrothiazine ring adopts a screw-boat conformation. In the crystal, intermolecular C—HBnz...OThz (Bnz = benzene and Thz = thiazine) hydrogen bonds form chains of molecules extending a...

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Bibliographic Details
Main Authors: Brahim Hni, Nada Kheira Sebbar, Tuncer Hökelek, Achour Redouane, Joel T. Mague, Noureddine Hamou Ahabchane, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2020-02-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
1,4-benzothiazin-3-one
dihydrothiazine
hydrogen bond
π-stacking
hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989020001036

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http://scripts.iucr.org/cgi-bin/paper?S2056989020001036

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