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.
In the title molecule, C11H8FNO, the dihedral angle between the pyrrole and benzene rings is 49.16 (6)°. In the crystal, adjacent molecules are linked by pairs of N—H⋯O hydrogen bonds, forming inversion dimers.
The crystal and molecular structure of 2-Amino-3-ethyl carboxamido-4-methyl-5-carboxy ethyl thiophene (C 11 H 16 N 2 O 3 S) has been investigated from single crystal X-ray diffraction data. The primary focus is to investigate the molecular geometry of this compound in the solid state along with the associated inter and intra-molecular hydrogen bonding and related weak interactions present in this molecule. This compound crystallizes in the monoclinic space group P2 1 /c with cell parameters, a = 8.1344(3) Å, b = 13.7392(4) Å, c = 11.4704(4) Å, β = 100.769(2)˚, V = 1259.36 (7) Å 3 , D = 1.352 g•cm-3 , Z = 4. The molecular geometry is stabilized by intra-molecular N-H…O=C and C-H…O interactions along with intramolecular C-H…N and C-H…O interactions which contribute towards the stability of the crystal packing.
The asymmetric unit of the title compound, C15H17NO2, contains two independent molecules in which the dihedral angles between the pyrrole and benzene rings are 42.43 (9) and 45.70 (9)°. In both molecules, the butoxy chains are disordered over two sets of sites, with occupancy ratios of 0.701 (7):0.299 (7) and 0.869 (4):0.131 (4). Each molecule forms a dimer with an inversion-related molecule, through a pair of N—H⋯O hydrogen bonds. Weak C—H⋯O interactions link these dimers in the crystal structure.
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