2-[4-(2-Methyl-prop-yl)phen-yl]-N'-[(E)-1-phenyl-ethyl-idene]propane-hydrazide

Area of Science:

• Crystal chemistry
• Organic chemistry
• Molecular structure

Background:

• Understanding molecular interactions is crucial for materials science.
• The specific arrangement of atoms and functional groups dictates a compound's properties.
• Crystallography provides detailed insights into solid-state structures.

Purpose of the Study:

• To elucidate the three-dimensional molecular structure of the title compound, C(21)H(26)N(2)O.
• To analyze the dihedral angles between aromatic rings and the propenone-hydrazide unit.
• To investigate intermolecular interactions, including hydrogen bonding and C-H⋯π interactions, within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles.
• Identification and analysis of hydrogen bonds (N-H⋯O, C-H⋯O) and C-H⋯π interactions.

Main Results:

• The dihedral angle between the two aromatic rings is 85.90(19)°.
• The propenone-hydrazide unit exhibits dihedral angles of 21.62(8)° and 72.83(9)° with the terminal and central aromatic rings, respectively.
• The 2-methyl-propyl group shows disorder over two sites (occupancies 0.533(13) and 0.467(13)).
• Molecules form centrosymmetric dimers through N-H⋯O and C-H⋯O hydrogen bonds.
• C-H⋯π interactions were also observed in the crystal structure.

Conclusions:

• The crystal structure of C(21)H(26)N(2)O has been successfully determined.
• The study quantifies the spatial arrangement of aromatic rings and functional groups.
• Intermolecular hydrogen bonding and C-H⋯π interactions play a significant role in the crystal packing of this compound.