4-(Cyclo-propane-carboxamido)-benzoic acid.

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular interactions is crucial for designing new materials.
• Crystal structure analysis provides insights into intermolecular forces and packing arrangements.
• The specific compound C(11)H(11)NO(3) presents an opportunity to study unique hydrogen bonding patterns.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(11)H(11)NO(3).
• To analyze the intermolecular interactions, including hydrogen bonding, within the crystal lattice.
• To describe the resulting supramolecular architecture.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of the crystal structure involved identifying hydrogen bond donors and acceptors.
• Geometric parameters, such as dihedral angles and hydrogen bond distances, were calculated.

Main Results:

• The dihedral angle between the benzene and cyclopropane rings is 63.2(1)°.
• Molecules form centrosymmetric dimers through cyclic carboxylic acid O-H⋯O hydrogen bonds (graph set R(2)(2)(8)).
• These dimers are further linked by amide N-H⋯O hydrogen bonds, forming one-dimensional ribbon structures with additional weak C-H⋯O interactions.

Conclusions:

• The crystal structure of C(11)H(11)NO(3) is characterized by a specific dihedral angle between its ring systems.
• The compound exhibits a well-defined supramolecular assembly driven by carboxylic acid and amide hydrogen bonding.
• The observed hydrogen bonding network leads to the formation of extended one-dimensional ribbon structures.