(E)-1-(2,4-Dinitro-phen-yl)-2-(2-fluoro-benzyl-idene)hydrazine

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the precise three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
• Fluorinated organic compounds and nitroaromatics are important classes of molecules with diverse applications in pharmaceuticals, materials science, and agrochemicals.

Purpose of the Study:

• To elucidate the detailed molecular geometry and crystal packing of a specific fluorinated nitrobenzene derivative, C(13)H(9)FN(4)O(4).
• To identify and quantify the intermolecular interactions that stabilize the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic coordinates and unit cell parameters.
• Analysis of the crystal structure included the calculation of dihedral angles between molecular planes and identification of non-covalent interactions.

Main Results:

• The molecule exhibited a nearly planar conformation with a small dihedral angle of 6.6(9)° between the two benzene rings.
• Dihedral angles between the benzene ring and its attached nitro groups were found to be 6.7(7)° and 7.2(9)°.
• Crystal packing is significantly influenced by N-H⋯O hydrogen bonds, weak C-H⋯O and C-H⋯F interactions, and centroid-centroid π-ring stacking.

Conclusions:

• The study provides a precise description of the solid-state structure of the title compound.
• The identified intermolecular interactions offer insights into the factors governing crystal assembly and stability for this class of molecules.