TITLE:
Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes
AUTHORS:
Avantika Hasija, V. Prakash, M. Shet Prakash, Vasu, G. Krishnasamy, Deepak Chopra
KEYWORDS:
Napthofuran-2-Carbaldehyde, 8-Nitro Napthafura-2-Carbaldehyde, Knoevenagel Condensation, Single Crystal and Hirshfeld Surface Analysis
JOURNAL NAME:
Crystal Structure Theory and Applications,
Vol.9 No.3,
August
4,
2020
ABSTRACT: In thecurrent study, two novel Knoevenagel condensation products of substituted napthofuran-2-carbaldehydes were designed, synthesized and characterized. In order to study the intermolecular interactions of title compounds, single crystals were grownby slow evaporation solution growth technique atroom temperature and crystal structure has been determined by single crystal X-ray diffraction technique. Both the moleculescrystallize in the monoclinic centrosymmetric space groupP21/cwith one molecule in the asymmetric unit. Incompound[4]the molecules are connected via bifurcated C-H···O=C and C-H···N=CH-bonds and van der Waals interactions forming a layered structure, whereas in compound[5a]the molecular conformation is stabilized via intramolecular C-H···O H-bond and molecule interacts with other molecule generated via 21-screwviabifurcated C-H···O=C along with C-H···N=C H-bonds, which are interacting with nitro- of other molecule generated via same symmetry operation, forming bifurcated C-H···O-NH-bonds, which helps in formation of molecular sheet-like structure.Further, in order to understand the various typesand nature of intermolecular interactionsin the supramolecular structure Hirshfeldsurface analysisand fingerprint plot analysis was carried out.