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

Autor: Brahim Hni, Nada Kheira Sebbar, Tuncer Hökelek, Achour Redouane, Joel T. Mague, Noureddine Hamou Ahabchane, El Mokhtar Essassi

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 2, Pp 281-287 (2020)

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)

Externí odkaz: https://doaj.org/article/39dc2eebc5ff485e83307dfcbdb02b4e

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 3-{(2Z)-2-[(2,4-dichlorophenyl)methylidene]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl}propanenitrile

Autor: Nada Kheira Sebbar, Brahim Hni, Tuncer Hökelek, Abdelhakim Jaouhar, Mohamed Labd Taha, Joel T. Mague, El Mokhtar Essassi

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 6, Pp 721-727 (2019)

The title compound, C18H12Cl2N2OS, consists of a dihydrobenzothiazine unit linked by a –CH group to a 2,4-dichlorophenyl substituent, and to a propanenitrile unit is folded along the S...N axis and adopts a flattened-boat conformation. The propanen

Externí odkaz: https://doaj.org/article/a8b0f1d1ad094b31ae78d7f8cbb831fe

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

Autor: Brahim Hni, Nada Kheira Sebbar, Tuncer Hökelek, Younes Ouzidan, Ahmed Moussaif, Joel T. Mague, El Mokhtar Essassi

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 75, Iss 3, Pp 372-377 (2019)

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 pr

Externí odkaz: https://doaj.org/article/403c5ead170846a69647e1b06cd8ea4c

Ethyl 2-{[2-(2-ethoxy-2-oxoethoxy)quinolin-4-yl]carbonyloxy}acetate

Autor: Younos Bouzian, Fouzia Hlimi, Nada kheira Sebbar, Mohamed El Hafi, Brahim Hni, El Mokhtar Essassi, Joel T. Mague

Publikováno v: IUCrData, Vol 3, Iss 10, p x181438 (2018)

The conformation of the 2-ethoxy-2-oxoethoxy side chain, including a gauche Ce—O—C—C3 [72.46 (16)°] (e = ethoxy) unit, in the title compound, C18H19NO7, is partly determined by an intramolecular C—H...O hydrogen bond. In the crystal, C—H..

Externí odkaz: https://doaj.org/article/94dbeec626a74ff7b7ac43664df4d729

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

Autor: Nada Kheira Sebbar, El Mokhtar Essassi, Tuncer Hökelek, Joel T. Mague, Noureddine Hamou Ahabchane, Achour Redouane, Brahim Hni

Publikováno v: Acta Crystallographica Section E: Crystallographic Communications, Vol 76, Iss 2, Pp 281-287 (2020)
Acta Crystallographica Section E: Crystallographic Communications

The title compound 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 = thia

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::09b17337343d13d5f2b0b73329b355fd
http://scripts.iucr.org/cgi-bin/paper?S2056989020001036