The title compound, C22H33N3O4, crystallizes in the triclinic space group P\overline{1} with two molecules in a unit cell. The two pyrrole rings are essentially planar (r.m.s. deviation = 0.002 Å) and they form a dihedral angle of 81.24 (10)° with each other. The crystal packing is stabilized by C—H...π interactions and π–π stacking interactions, forming a three-dimensional network. The Hirshfeld surface analysis and two-dimensional fingerprint plots reveal that the most important contributions for the crystal packing are from H...H (74.3%), C...H/H...C (11.5%) and O...H/H...O (9.1%) contacts.
This manuscript reports the synthesis, X-ray characterization and DFT study of a series of all-cis 3a,6:4,5:7,9a-triepoxy and 3a,6:7,9a-diepoxybenzo[de]isoquinolines obtained by the tandem intramolecular [4+2] / [4+2] cycloaddition in bis-furans (the...
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