4-(2-Thienylmethyl-eneamino)benzoic acid.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and reactivity.
• The specific arrangement of aromatic rings and the presence of heteroatoms can significantly influence molecular conformation and intermolecular interactions.

Purpose of the Study:

• To elucidate the precise molecular geometry of the title compound, C(12)H(9)NO(2)S.
• To investigate the intermolecular interactions and crystal packing of the molecule.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular structure.
• Analysis of the crystal structure to identify and quantify hydrogen bonding and other non-covalent interactions.

Main Results:

• The dihedral angle between the benzene and thiophene rings was determined to be 41.91(8)°.
• Short intermolecular O-H⋯O and C-H⋯O hydrogen bonding contacts were identified in the crystal lattice.

Conclusions:

• The determined dihedral angle provides key insights into the torsional preferences of the linked aromatic systems.
• The observed hydrogen bonding network dictates the crystal packing, influencing the solid-state properties of the molecule.