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Influences of halogen atoms on indole-3-acetonitrile (IAN): Crystal structure and Hirshfeld surfaces analysis
Crystal structural investigations and Hirshfeld surface analysis of three halogen atoms (4-Cl, 6-Cl and 4-Br) substituted indole-3-acetonitrile (IAN) were reported in this work. The structures of the present three compounds were characterized by Infrared spectra, Elemental analyses, NMR spectra, differential scanning calorimetry (DSC), thermogravimetric analyses (TGA) and hot stage microscopy (HSM). The Hirshfeld surfaces analysis in terms of crystal structure, intermolecular interactions and pi?pi stacking motifs were performed. We found that the different kinds of halogen atoms and the different substituted positions have a significant effect on the crystal structures, molecular pi?pi stacking motifs, melting points, and the nature of intermolecular interactions for IANs.
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Reference£º
Indole alkaloid derivatives as building blocks of natural products from?Bacillus thuringiensis?and?Bacillus velezensis?and their antibacterial and antifungal activity study,
Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles