Crystal structure analysis of 5-tert-butyl-8-methyl-2,3-dihydro-1 H-pyrrolo[3,2,1-ij[quinolin-1-one

Abstract

The compound 5-tert-Butyl-8-methyl-2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-1-one, (3) was synthesized and characterized by 1H NMR, IR, and mass spectroscopy. Its molecular structure was solved by single crystal X-ray diffraction method. The crystal structure analysis revealed that two different conformers of compound 3 are present in the crystal. The difference in two conformational structures was found in the arrangement of C˭O group to the plane of the molecule. The hydrogen bonding of the two conformers was not similar. The Hirshfeld surface analyses and two-dimensional finger plots showed that the two conformers are completely different.

[Supplemental materials are available for this article. Go to the publisher's online edition of Molecular Crystals and Liquid Crystals to view the free supplemental file: Spectral data (MS, NMR, PXRD, DSC, and TGA) of the compound 3 are available in the supporting information in .pdf format. Crystallographic information file (.cif) of compound 3 is available in the electronic format.]