1-(3-Fluoro-phen-yl)-3-(4-nitro-phen-yl)urea

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding the solid-state structure of organic molecules is crucial for predicting their physical and chemical properties.
• Fluorinated and nitrated aromatic compounds are important building blocks in pharmaceuticals and materials science.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C(13)H(10)FN(3)O(3).
• To analyze the spatial arrangement and intermolecular interactions 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 intermolecular interactions (hydrogen bonding) was performed.

Main Results:

• The crystal structure of C(13)H(10)FN(3)O(3) was successfully determined.
• A small dihedral angle of 6.51(9)° was observed between the fluoro-phenyl and nitro-phenyl ring planes.
• N-H⋯O hydrogen bonds were identified as a key feature of the crystal packing.

Conclusions:

• The determined crystal structure provides fundamental insights into the molecular conformation and intermolecular forces governing the solid state of this compound.
• The observed dihedral angle suggests a near-planar arrangement of the aromatic rings, influenced by crystal packing forces.
• The presence of N-H⋯O hydrogen bonds plays a significant role in stabilizing the crystal structure.