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The title compound, C22H21NO2, was synthesized from 4-methoxy-2-methylaniline and 2-hydroxy-1,2-diphenylethanone. In the title compound, the C-C-C-N-C backbone adopts an all-trans conformation. The crystal structure is ...
Vibrational Spectroscopy Investigation Using Ab Initio and Density Functional Theory Analysis on the Structure of tert-Butyl 3a-Chloroperhydero-2,6a-epoxyoxireno[e]isoindole-5-carboxylate
(HINDAWI LTD, 2013)
The molecular structure, vibrational frequencies, and infrared intensities of the tert-butyl 3a-Chloroperhydero-2,6a-epoxyoxireno[e]isoindole-5-carboxylate were calculated by the HF and DFT (BLYP and B3LYP) methods using ...
In the title compound, C15H16BrNO3S, the boat form of the six-membered ring is almost symmetrical with respect to the epoxy bridge. The two five-membered rings generated by the epoxy bridge of the six-membered ring adopt ...
In the tetrahydroisoindole moiety of the title compound, C17H17NO3S, the six-membered ring assumes a boat configuration and the -S=O group bridges the prow and stern of the boat. The phenyl ring is oriented at a dihedral ...
In the title compound, C9H12BrNO3S, the two tetrahydrofuran rings adopt envelope conformations, the pyrrolidine ring adopts a half-chair conformation and the six-membered ring is in a boat conformation. In the crystal, ...