N-(2-Nitro-phen-yl)thio-phene-2-carbox-amide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular interactions is crucial for designing new materials.
• Crystal structure analysis provides fundamental insights into chemical bonding and intermolecular forces.

Purpose of the Study:

• To elucidate the crystal structure of the title compound (C11H8N2O3S).
• To investigate the dihedral angles between aromatic rings and intramolecular hydrogen bonding.
• To characterize the crystal packing and intermolecular interactions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of dihedral angles between benzene and thiophene rings.
• Identification of intramolecular and intermolecular interactions (hydrogen bonds, van der Waals forces).

Main Results:

• The asymmetric unit contains two molecules with differing dihedral angles (13.53° and 8.50°) between benzene and thiophene rings.
• An intramolecular N-H⋯O hydrogen bond forms an S(6) ring motif in each molecule.
• Crystal packing is characterized by weak C-H⋯O and C-H⋯S interactions, forming layered structures parallel to the (010) plane.

Conclusions:

• The study provides a detailed structural characterization of the title compound.
• The observed hydrogen bonding and weak interactions dictate the supramolecular assembly in the solid state.
• These findings contribute to the understanding of structure-property relationships in organic crystalline materials.