Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes

Abstract

In the current 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 grown by slow evaporation solution growth technique at room temperature and crystal structure has been determined by single crystal X-ray diffraction technique. Both the molecules crystallize in the monoclinic centrosymmetric space group P2 1 /c with one molecule in the asymmetric unit. In compound [4] the molecules are connected via bifurcated C-H•••O=C and C-H•••N=C H-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 2 1-screw via bifurcated 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-N H-bonds, which helps in formation of molecular sheet-like structure. Further, in order to understand the various types and nature of intermolecular interactions in the supramolecular structure Hirshfeld surface analysis and fingerprint plot analysis was carried out.

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“…Ligand and metal salts (molar ratio of 2:1) were heated and refluxed for 48 h, then filtration was conducted immediately after the reaction, and the filtrate was retained for slow volatilization. The metal-ligand complexes were successfully synthesized by reacting 2,4-di-tert-butyl-6-(5-chlorobenzotriazol-2-yl) phenol, ethane-1,2-diamine and 4,4'-diaminocyclohexylmethane as ligands with Cu(ClO4) 2 .6H 2 O, Co(NO 3 ) 2 .6H 2 O and ZnCl 2, respectively, and the cultivated crystals were analysed and characterized by X-ray diffraction, IR, 1 HNMR, 12 CNMR, UV and E.A. The first key is to find the right ligands, and then the ligands and the corresponding metal salts were reacted.…”

“…The UV spectra of the complexes are presented in Figure 2. Madison, WI, USA) assay method [12]. Briefly, cells were seeded into the wells of a 96-well cell culture plate.…”

“…Soriano-García et al (2007) synthesized 3β-(p-iodobenzoyloxy)-16α,17α-epoxypregn-4-En-6,20-dione and used it in the treatment of androgen-dependent diseases [11]. In 2020, Hasija et al synthesized, characterized and reported on the scope of furan and naptho-furan consisting of molecules in electronic devices and their pharmacological and biological activities [12]. Salama, Ahmed, and Hassan (2017) synthesized and characterized Co 2+ complexes of amino acid Schiff bases from salicylaldehyde and three amino acids in basic medium and studied their biological activities [13].…”