2-Chloro-4-nitro-benzoic acid-quinoline (1/1)

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding the intermolecular interactions in crystalline solids is crucial for predicting material properties.
• Benzoic acid and quinoline derivatives are common organic building blocks with diverse applications.

Purpose of the Study:

• To elucidate the crystal structure and hydrogen bonding network of the title compound (C(7)H(4)ClNO(4)·C(9)H(7)N).
• To analyze the spatial arrangement and interactions between the benzoic acid and quinoline components in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bond donors and acceptors (O-H⋯N, C-H⋯O) was performed.

Main Results:

• The crystal structure is characterized by an O-H⋯N hydrogen bond connecting the benzoic acid and quinoline moieties.
• A dihedral angle of 3.15° was observed between the quinoline and benzoic acid rings.
• Intermolecular C-H⋯O hydrogen bonds link these units into tapes along the c axis, which further stack into layers parallel to the bc plane.

Conclusions:

• The crystal packing is primarily governed by a combination of O-H⋯N and C-H⋯O hydrogen bonds.
• The observed hydrogen bonding network dictates the formation of tape-like and layered structures in the solid state.
• This structural information provides insights into the supramolecular assembly of organic molecules.