Crystal Structure Theory and Applications

Volume 9, Issue 3 (August 2020)

ISSN Print: 2169-2491   ISSN Online: 2169-2505

Google-based Impact Factor: 1.33  Citations  

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

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DOI: 10.4236/csta.2020.93005    145 Downloads   454 Views  

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 P21/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 21-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.

Cite this paper

Hasija, A. , Prakash, V. , Prakash, M. , Vasu,  . , Krishnasamy, G. and Chopra, D. (2020) Crystal and Molecular Structure Analysis in Knoevenagel Condensation Product of Substituted Napthofuran-2-Carbaldehydes. Crystal Structure Theory and Applications, 9, 49-62. doi: 10.4236/csta.2020.93005.

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