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2,2'-Dimeth-oxy-6,6'-dinitro-biphen-yl.

Shao-Bin Miao¹, Dong-Sheng Deng, Xian-Ming Liu

¹College of Chemistry and Chemical Engineering, Luoyang Normal University, Luoyang 471022, People's Republic of China.

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Summary

This summary is machine-generated.

This study details the crystal structure of a novel compound, C(14)H(12)N(2)O(6). It reveals how intermolecular hydrogen bonds and pi-pi interactions create a stable three-dimensional network structure.

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Area of Science:

Crystallography
Materials Science
Supramolecular Chemistry

Background:

Understanding molecular interactions is crucial for designing new materials.
Crystal structure analysis provides insights into intermolecular forces.
The compound C(14)H(12)N(2)O(6) was synthesized for structural investigation.

Purpose of the Study:

To elucidate the crystal structure of the title compound, C(14)H(12)N(2)O(6).
To investigate the intermolecular interactions responsible for the compound's solid-state architecture.
To characterize the packing arrangement and network formation in 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 provided geometric information.
Intermolecular interactions, including hydrogen bonds and pi-pi contacts, were identified and analyzed.

Main Results:

The asymmetric unit contains a half-molecule, completed by a crystallographic twofold rotation axis.
The two benzene rings in the complete molecule exhibit a dihedral angle of 60.5(3)°.
Intermolecular C-H⋯O hydrogen bonds link molecules into a 2D sheet.
Face-to-face pi-pi contacts (3.682(1) Å) between nearly parallel benzene rings (dihedral angle 0.12(7)°) stabilize these sheets into a 3D network.

Conclusions:

The crystal structure of C(14)H(12)N(2)O(6) is characterized by a 3D network formed through hydrogen bonding and pi-pi stacking.
The specific arrangement of molecules and the identified interactions dictate the material's properties.
This structural insight contributes to the understanding of crystal engineering and supramolecular assembly.