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Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
The crystal structure of C(8)H(10)N(4)O(2) reveals nearly planar non-hydrogen atoms. Molecules form a 1D zigzag chain via intermolecular hydrogen bonds, with weak pi-pi stacking between pyrazine rings.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- Intermolecular interactions, such as hydrogen bonding and pi-pi stacking, dictate crystal packing and influence material characteristics.
Purpose of the Study:
- To elucidate the detailed crystal structure of the title compound, C(8)H(10)N(4)O(2).
- To identify and characterize the intermolecular interactions present in the crystal lattice.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional arrangement of atoms.
- Analysis of the crystal structure involved identifying hydrogen bonds and measuring distances for pi-pi stacking interactions.
Main Results:
- The non-hydrogen atoms in C(8)H(10)N(4)O(2) exhibit near planarity, with a maximum deviation of 0.1256(16) Å.
- Intermolecular O-H⋯N hydrogen bonds connect adjacent molecules into a one-dimensional zigzag chain along the c-axis.
- Weak pi-pi stacking interactions were observed between neighboring pyrazine rings, with a centroid-centroid distance of 4.0432(15) Å.
Conclusions:
- The crystal structure of C(8)H(10)N(4)O(2) is characterized by planar molecular geometry and a 1D hydrogen-bonded chain.
- The identified intermolecular interactions provide insights into the supramolecular assembly and potential properties of this compound.
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