Search
Now showing items 1-10 of 295
Crystal Structure, Hirshfeld Surface Analysis And Corrosion Inhibition Study Of 3,6-Bis(Pyridin-2-Yl)-4-{[(3As,5S,5Ar,8Ar,8Bs)-2,2,7,7-TetraMethylTetraHydro-5H-Bis[1,3]Dioxolo[4,5-B:4′,5′-D]Pyran-5-Yl)MethOxy]MethYl}Pyridazine Monohydrate
(2019)
The title compound is built up by two dioxolo, two pyridine, one pyridazine and one pyran rings. The two dioxolo rings are in envelope conformations, while the pyran ring is in twisted-boat conformation. The pyradizine ...
Synthesis, Crystal Structure And Hirshfeld Surface Analysis Of 3-(4,4-Dimethyl-2,3,4,5-TetraHydro-1H-1,5-Benzodiazepin-2-YlIdene)-6-Methyl-3,4-DiHydro-2H-Pyran-2,4-Dione
(2019)
The title compound is built up from the benzodiazepine ring system linked to the pyridyl and pendant dihydropyran rings. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link the molecules into a three-dimensional network. ...
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
(2019)
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 Dft Studies Of 5-Bromo-1-{2-[2-(2-ChloroEthOxy)EthOxy]EthYl}Indoline-2,3-Dione
(2019)
The title compound consists of the 5-bromoindoline-2,3-dione unit linked by a 1-{2-[2-(2 chloroethoxy)ethoxy]ethyl} moiety. In the crystal, intermolecular C—HBrmind⋯ODio, C—HBrmind⋯OEthy, C—HChlethy⋯ODio and ...
Crystal Structure And Hirshfeld Surface Analysis Of 4-Allyl-6-Bromo-2-(4-ChloroPhenYl)-4H-Imidazo[4,5-B]Pyridine
(2019)
The imidazo[4,5-b]pyridine unit is planar, while the phenyl and allyl substituents are rotated a little out of this plane. In the crystal, molecules are linked via pairs of the weak intermolecular C—H⋯N hydrogen bonds, ...
Crystal Structure, Hirshfeld Surface Analysis And InterAction Energy And Dft Studies Of Methyl 4-[3,6-Bis(Pyridin-2-Yl)Pyridazin-4-Yl]Benzoate
(2019)
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 5,5-Diphenyl-1,3-Bis(Prop-2-Yn-1-Yl)Imidazolidine-2,4-Dione
(2019)
The title molecule consists of an imidazolidine unit linked to two phenyl rings and two prop-2-yn-1-yl moieties. The imidazolidine ring is oriented at dihedral angles of 79.10 (5) and 82.61 (5)° with respect to the phenyl ...
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
(2019)
In the title compound, the dihydrobenzothiazine moiety is folded about the S1⋯N1 axis. In the crystal, inversion dimers, generated by C—HBnz⋯NPrpnit (Bnz = benzene, Prpnit = propanenitrile) hydrogen bonds, are linked ...
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
(2019)
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
(2019)
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 ...
