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In the present investigation, we report an efficient, direct, one-pot synthesis of mononuclear, mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II)dichloride complex (C34H38Cl2N2O2)Zn in ethanol. The synthesized coordination compound was subjected to crystal growth by repeated recrystallization in ethanol at ambient temperature. The title compound was thoroughly characterized by 1H NMR, 13C NMR, FT-IR and Mass spectral studies. The crystal structure of the Zinc complex was established by single crystal X-ray diffraction studies. The title compound is mononuclear, with tetragonal coordination geometry and P41212 space group stabilised by intermolecular (C H…Cl) and intramolecular hydrogen bonding (N-H…..O). The zinc coordination complex exhibits photoluminescence property with strong emission at 525 nm in the green region. The molecular docking studies by using Gold suite software reveal that the Zinc complex has strong binding affinity towards α-glucosidase enzyme with Goldscore of 83.76 and forms two hydrogen bonds (LEU208, TRY2) with bond length (3.31, 3.73 A) and one electrostatic bond (LYS 208) of bond length (4.51) with the target enzyme. Mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II) dichloride complex exhibited IC50 value of 3.0454 ± 0.010 µM as compared to standard acarbose (IC50 = 0.5414 µM). Thus the title zinc complex is a promising candidate for α-glucosidase inhibition after necessary biological and pharmaceutical investigations.

An organic nonlinear optical single crystal of 4-(E)-1-(4-chlorophenyl)-3-(4-nitrophenyl) prop-2-en-1-one [CPNP] was synthesized and its single crystal grown by solution growth technique. XRD analysis of the CPNP single crystal confirms that the crystal belongs to orthorhombic system with non centrosymmetric space group Pna21. The characteristic functional groups in the crystal were identified by FT-IR analysis. The CPNP crystal exhibits an optical transparency of 76% with optical band gap energy of 2.88eV. The HOMO-LUMO energy gap calculated from DFT for a single-molecule in the gas phase was found to be 3.88 eV. The thermal stability of the CPNP crystal was analyzed by TGA/DSC analysis. The CPNP crystal exhibits photoluminescence property with strong emission at 615nm in the orange red region. The LDT value of the CPNP crystal was found to be 1.72 GW/cm2. The SHG efficiency of CPNP crystal is 0.75 times greater than that of standard urea.