Ethyl 3-benzyl-idenecarbazate.

Area of Science:

• Crystallography
• Molecular Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Intermolecular forces, such as hydrogen bonds, play a significant role in the self-assembly of molecules in the solid state.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(10)H(12)N(2)O(2).
• To analyze the dihedral angle between the aromatic ring and the side chain.
• To investigate the hydrogen bonding network and resulting supramolecular architecture.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure included calculating dihedral angles and identifying hydrogen bond donors and acceptors.
• The propagation of hydrogen-bonded chains within the crystal lattice was examined.

Main Results:

• The crystal structure of C(10)H(12)N(2)O(2) was successfully determined.
• A dihedral angle of 18.23° was measured between the aromatic ring and the side chain planes.
• N-H⋯O hydrogen bonds were identified, leading to the formation of C(4) amide chains propagating along the [010] direction.

Conclusions:

• The study provides precise structural data for C(10)H(12)N(2)O(2), including its conformation and intermolecular interactions.
• The identified hydrogen bonding motif highlights a common self-assembly strategy in related amide-containing compounds.
• The findings contribute to the broader understanding of crystal engineering and structure-property relationships.