Ethyl 4-anilino-3-nitro-benzoate.

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular interactions is crucial in materials science.
• Crystal engineering relies on predicting and controlling intermolecular forces.
• Hydrogen bonding plays a key role in the self-assembly of organic molecules.

Purpose of the Study:

• To elucidate the crystal structure of the organic compound C(15)H(14)N(2)O(4).
• To analyze the dihedral angle between the benzene and phenyl rings.
• To investigate the hydrogen bonding network within the crystal lattice.

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.
• Identification and characterization of intra-molecular and inter-molecular hydrogen bonds.

Main Results:

• The dihedral angle between the benzene and phenyl rings was determined to be 73.20(6)°.
• An intra-molecular N-H⋯O hydrogen bond was identified, forming an S(6) ring motif.
• Inter-molecular N-H⋯O and C-H⋯O hydrogen bonds link molecules into layers parallel to the bc plane.

Conclusions:

• The crystal structure of C(15)H(14)N(2)O(4) reveals specific conformational preferences and intermolecular interactions.
• The identified hydrogen bonding network dictates the layered crystal packing.
• This structural information contributes to the understanding of organic crystal formation and design.