Crystal structure, Hirshfeld surface analysis and inter-action energy and DFT studies of 3-{(2Z)-2-[(2,4-di-chloro-phen-yl)methyl-idene]-3-oxo-3,4-di-hydro-2H-1,4-benzo-thia-zin-4-yl}propane-nitrile.

ABSTRACT: The title compound, C₁₈H₁₂Cl₂N₂OS, consists of a di-hydro-benzo-thia-zine unit linked by a -CH group to a 2,4-di-chloro-phenyl substituent, and to a propane-nitrile unit is folded along the S⋯N axis and adopts a flattened-boat conformation. The propane-nitrile moiety is nearly perpendicular to the mean plane of the di-hydro-benzo-thia-zine unit. In the crystal, C-H_Bnz⋯N_Prpnit and C-H_Prpnit⋯O_Thz (Bnz = benzene, Prpnit = propane-nitrile and Thz = thia-zine) hydrogen bonds link the mol-ecules into inversion dimers, enclosing R ₂ ²(16) and R ₂ ²(12) ring motifs, which are linked into stepped ribbons extending along [110]. The ribbons are linked in pa

SUBMITTER: Sebbar NK 

PROVIDER: S-EPMC6658978 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature