A comprehensive analysis of the molecular packing in the crystal of N2-(4-chlorophenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine and in its 1:1 ethanol solvate

Journal of Molecular Structure(2024)

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摘要
•A detailed analysis of the molecular packing is reported for the title triazines.•Similar molecular conformations are found in the pure crystals and ethanol solvate.•Very different molecular packing is evident in the crystals.•Extra hydrogen bonding and more extensive π···π interactions exist in the solvate.•The crystal lattice energy for the ethanol solvate is significantly greater.
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关键词
1,3,5-triazines,X-ray crystallography,Non-covalent interactions,Hirshfeld surface analysis,Computational chemistry
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