1-[1-(4-Chloro-phen-yl)ethyl-idene]carbono-hydrazide

Area of Science:

• Crystallography
• Molecular Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular structure and intermolecular interactions is crucial in chemistry.
• Crystal engineering relies on predicting and controlling solid-state structures.
• Hydrogen bonding plays a key role in molecular self-assembly.

Purpose of the Study:

• To determine the precise molecular geometry of C(9)H(11)ClN(4)O.
• To investigate the intermolecular interactions governing crystal packing.
• To elucidate the self-assembly behavior in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to analyze the crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided geometric insights.
• Intermolecular interactions, specifically hydrogen bonds, were identified and characterized.

Main Results:

• The molecular skeleton of C(9)H(11)ClN(4)O exhibits a near-planar conformation.
• A small dihedral angle of 6.7(3)° was measured between the ring and the N/N/C plane.
• Inter-molecular hydrogen bonds (N-H⋯O and N-H⋯N) were observed, linking molecules into extended ribbons along the [010] direction.

Conclusions:

• The study provides detailed structural information for C(9)H(11)ClN(4)O.
• The observed hydrogen bonding network dictates the formation of 1D ribbon structures in the crystal.
• This structural insight contributes to the understanding of crystal engineering principles for related molecules.