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Shanmuga Sundara Raj S¹, Yamin, Boshaala

¹X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.

Acta Crystallographica. Section C, Crystal Structure Communications

|August 16, 2000

Summary

The crystal structure of C(14)H(12)N(2)O(2) reveals molecules forming polymeric chains. Intermolecular hydrogen bonds link molecules, creating ten-membered rings with a specific graph-set motif.

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Area of Science:

Crystallography
Organic Chemistry
Materials Science

Background:

Understanding molecular arrangement in crystals is crucial for predicting material properties.
Hydrogen bonding plays a significant role in supramolecular assembly and crystal engineering.

Purpose of the Study:

To determine the crystal structure of the title compound, C(14)H(12)N(2)O(2).
To investigate the intermolecular interactions and packing in the crystal lattice.

Main Methods:

Single-crystal X-ray diffraction was used to analyze the crystal structure.
Analysis of bond lengths, angles, and intermolecular contacts was performed.

Main Results:

The molecule C(14)H(12)N(2)O(2) crystallizes with the molecule lying about a twofold axis.

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Two carbonyl groups and N-N bond hydrogen atoms exhibit a trans orientation.

Intermolecular N-H···O hydrogen bonds form between amide hydrogen and oxygen atoms of neighboring molecules.

These interactions lead to the formation of two ten-membered rings with a C4R(2)(2)(10) graph-set motif.

A polymeric chain structure is observed along the c-axis.

Conclusions:

The crystal structure of C(14)H(12)N(2)O(2) is characterized by specific molecular orientation and intermolecular hydrogen bonding.
The observed hydrogen bonding network results in a polymeric chain arrangement, influencing the solid-state properties.