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Crystal structure, Hirshfeld surface analysis and interaction energy, DFT and antibacterial activity studies of ethyl 2-[(2Z)-2-(2-chlorobenzylidene)-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl]acetate

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The dihydrobenzothiazine ring is distinctly folded across the S⋯N axis and a puckering analysis of its conformation was performed. In the crystal, two sets of weak C—HPh⋯ODbt (Ph = phenyl… Click to show full abstract

The dihydrobenzothiazine ring is distinctly folded across the S⋯N axis and a puckering analysis of its conformation was performed. In the crystal, two sets of weak C—HPh⋯ODbt (Ph = phenyl and Dbt = dihydrobenzothiazine) hydrogen bonds form layers parallel to the bc plane. The layers stack along the a-axis direction with intercalation of the ester chains.

Keywords: surface analysis; hirshfeld surface; structure hirshfeld; analysis interaction; crystal structure; analysis

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2020

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