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Pyridine-4-carbaldehyde azine
S Shanmuga Sundara Raj1, H K Fun, J Zhang
1X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Summary
The crystal structure of C(12)H(10)N(4) reveals a nearly planar molecule with a slight twist between the pyridine ring and the molecular plane. Molecules form parallel stacks along the a-axis with a herring-bone arrangement and a 3.551 A interplanar spacing.
Area of Science:
- Crystallography
- Molecular Structure
- Solid-State Chemistry
Background:
- Understanding molecular packing is crucial for predicting material properties.
- Centrosymmetric molecules often exhibit unique solid-state arrangements.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(12)H(10)N(4).
- To analyze the molecular geometry and intermolecular interactions in the solid state.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of molecular planarity and dihedral angles.
- Investigation of intermolecular stacking and arrangement.
Main Results:
- The crystal structure of C(12)H(10)N(4) was determined.
- The molecule is almost planar and crystallographically centrosymmetric.
- A dihedral angle of 1.12(9) degrees was observed between the pyridine ring and the molecular plane.
- Molecules form parallel stacks along the a-axis with a herring-bone pattern.
- The interplanar spacing within the stacks is 3.551 A.
Conclusions:
- The determined crystal structure provides insights into the solid-state behavior of C(12)H(10)N(4).
- The observed molecular arrangement suggests potential for specific intermolecular interactions and properties.