Crystal Structure, DFT, Hirshfeld Surface Analysis, and Energy Frameworks Study of 8-hydroxy1,2,3,5,6,7-hexahydropyrido [3,2,1-ij]quinoline-9- Carbaldehyde| Chapter 4 | Recent Progress in Chemical Science Research Vol. 6

 In the title compound, C13H15NO2, the melded non-aromatic rings of the julolidine subdivision incorporate envelope conformations. In order to conceive a S(6) ring motif, the hydroxy group enacts an intramolecular hydrogen connection with the aldehyde O mite. Weak intermolecular C—H O hydrogen bonds help to stabilize the clear structure. The molecular form of a solid-state compound is got experimentally and compared to optimum density working theory (DFT) forms at the B3LYP/6-311 G(d,p) level. The different intermolecular interactions and the transparent packing substance of the compound have been determined by Hirshfeld surface reasoning. To study the stability of the fragment and recognize the dominant strength type, energy foundations were constructed, using miscellaneous intermolecular interaction strengthes.

Author(s) Details:

Asif Jamal,
PG Department of Chemistry, Langat Singh College, B.R.A. Bihar University, Muzaffarpur, Bihar, India.

Md. Serajul Haque Faizi,
PG Department of Chemistry, Langat Singh College, B.R.A. Bihar University, Muzaffarpur, Bihar, India.

Please see the link here: https://stm.bookpi.org/RPCSR-V6/article/view/9251