4-Meth-oxy-N-(4-meth-oxy-2-nitro-phen-yl)benzamide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure Analysis

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• The study of intermolecular forces, such as hydrogen bonding, provides insights into crystal packing and material properties.

Purpose of the Study:

• To elucidate the precise molecular geometry of the compound C(15)H(14)N(2)O(5).
• To investigate the conformational preferences of the amide linkage and benzene rings.
• To characterize the intermolecular interactions present in the crystalline state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and bond parameters.
• Analysis of dihedral and torsion angles provided insights into molecular conformation.
• Identification of hydrogen bonding networks through crystallographic data.

Main Results:

• The central amide unit exhibited dihedral angles of approximately 28° and 26° with the two benzene rings.
• The benzene rings were nearly coplanar, with a dihedral angle of about 4.5°.
• Methoxy and nitro substituents were found to be coplanar with their respective benzene rings.
• Intermolecular C-H⋯O and N-H⋯O interactions were observed, leading to tape-like crystal structures along the b axis.

Conclusions:

• The compound C(15)H(14)N(2)O(5) adopts a specific conformation influenced by the amide group and benzene ring orientations.
• The observed intermolecular interactions dictate the crystal packing, forming extended tape structures.
• This detailed structural information is valuable for further research in organic synthesis and materials science.