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Crystal Structure And Hirshfeld Surface Analysis Of 3,4-Dihydro-2-(2,4-Dioxo-6-Methylpyran-3-Ylidene)-4-(4-Pyridin-4-Yl)-1,5-Benzodiazepine
In the title compound, the pendant dihydropyran ring is rotationally disordered in a 90.899 (3):0.101 (3) ratio with the orientation of each component largely determined by intramolecular N—H⋯O hydrogen bonds. In the ...
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of Methyl 4-[3,6-Bis(Pyridin-2-Yl)Pyridazin-4-Yl]Benzoate
The pyridazine ring deviates slightly from planarity. In the crystal, ribbons consisting of inversion-related chains of molecules extending along the a-axis direction are formed by C—HMthy⋯OCarbx (Mthy = methyl and Carbx ...
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of (2Z)-4-Benzyl-2-(2,4-DiChloroBenzylIdene)-2H-1,4-BenzoThiaZin-3(4H)-One
The title compound contains 1,4-benzothiazine and 2,4-dichlorobenzylidene units, where the dihydrothiazine ring adopts a screw-boat conformation. In the crystal, intermolecular C—HBnz⋯OThz (Bnz = benzene and Thz ...
Crystal Structure, Hirshfeld Surface Analysis And Dft Study Of (2Z)-2-(2,4-DiChloroBenzylIdene)-4-[2-(2-Oxo-1,3-Oxazolidin-3-Yl)EthYl]-3,4-DiHydro-2H-1,4-BenzoThiaZin-3-One
In the title compound, the heterocyclic portion of the dihydrobenzothiazine unit adopts a flattened-boat conformation, while the oxazolidine ring adopts an envelope conformation. The 2-carbon link to the oxazole ring ...