Ethyl 2-[(2,6-dimethyl-phen-yl)hydrazono]-3-oxobutanoate

Area of Science:

• Crystallography
• Molecular Chemistry

Background:

• Understanding molecular structure and intermolecular interactions is crucial in chemistry.
• Crystal structure analysis provides detailed insights into the solid-state arrangement of compounds.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(18)N(2)O(3).
• To analyze the molecular geometry, planarity, and hydrogen bonding interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of molecular geometry and intermolecular interactions (hydrogen bonds, C-H···O, C-H···π).

Main Results:

• The compound crystallizes with two independent molecules in the asymmetric unit, exhibiting similar geometries.
• Both molecules are nearly planar, with maximum deviations from the mean plane below 0.07 Å.
• An intramolecular N-H···O hydrogen bond forms a six-membered ring (S(6) motif).
• Intermolecular C-H···O hydrogen bonds link molecules into chains along the c-axis.
• Intermolecular C-H···π interactions were also observed in the crystal packing.

Conclusions:

• The crystal structure of C(14)H(18)N(2)O(3) has been determined.
• The compound exhibits significant planarity and features both intra- and intermolecular hydrogen bonding, as well as C-H···π interactions, dictating its solid-state architecture.