1-(2,4-Dinitro-phen-yl)-2-(1,2,3,4-tetra-hydro-naphthalen-1-yl-idene)hydrazine.

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding molecular conformation and intermolecular interactions is crucial in crystal engineering.
• The specific arrangement of functional groups influences bulk material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(14)N(4)O(4).
• To analyze the dihedral angles, hydrogen bonding, and π-π stacking interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Analysis of bond lengths, bond angles, dihedral angles, and intermolecular contacts was performed.

Main Results:

• The dihedral angle between the benzene rings is 10.42°.
• Nitro groups exhibit small dihedral angles (5.3° and 6.47°) with their parent rings.
• An intramolecular N-H⋯O hydrogen bond forms an S(6) ring motif.
• Intermolecular C-H⋯O interactions link molecules into (010) chains with R(2)(2)(13) ring motifs.
• Aromatic π-π stacking interactions were observed with a centroid-centroid separation of 3.7046 Å.

Conclusions:

• The crystal structure is stabilized by a combination of intramolecular hydrogen bonding and intermolecular C-H⋯O interactions.
• The observed π-π stacking suggests potential for electronic interactions within the crystal.
• The detailed structural analysis provides insights into the solid-state behavior of this organic compound.