N-Benzoyl-3-nitro-benzene-sulfonamide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties.
• Hydrogen bonding plays a significant role in the self-assembly and structural organization of molecules in the solid state.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(13)H(10)N(2)O(5)S.
• To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
• To determine the spatial relationship between the phenyl and benzene rings.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided detailed structural information.
• Identification and analysis of hydrogen bonding networks were performed.

Main Results:

• The crystal structure of C(13)H(10)N(2)O(5)S was successfully determined.
• A significant dihedral angle of 86.7° was observed between the phenyl and benzene rings.
• Molecules were found to form zigzag chains along the b axis through N-H⋯O hydrogen bonds.

Conclusions:

• The title compound exhibits a near-orthogonal arrangement of its aromatic systems.
• The observed hydrogen bonding pattern dictates the formation of 1D supramolecular chains in the solid state.
• The structural findings provide insights into the solid-state behavior of this class of organic compounds.