N'-[(E)-2-Meth-oxy-benzyl-idene]pyrazine-2-carbohydrazide.

Area of Science:

• Crystallography
• Molecular Chemistry
• Supramolecular Chemistry

Background:

• Understanding the three-dimensional arrangement of atoms in molecules is crucial for predicting their properties and reactivity.
• Crystal engineering relies on identifying and controlling intermolecular forces to design materials with desired characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(13)H(12)N(4)O(2).
• To analyze the intra- and intermolecular interactions governing the compound's solid-state assembly.
• To characterize the molecular conformation and crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the atomic arrangement.
• Analysis of bond lengths, angles, and non-covalent interactions (hydrogen bonds, pi-pi stacking) was performed.
• Crystallographic symmetry elements and packing motifs were identified.

Main Results:

• The compound C(13)H(12)N(4)O(2) exhibits a planar conformation with an E-configuration at the imine bond.
• An intramolecular N-H⋯N hydrogen bond forms a stable S(5) ring.
• Molecules self-assemble into a 2D array through C-H⋯O and C-H⋯N interactions, with layers further stabilized by pi-pi stacking of pyrazine rings.

Conclusions:

• The crystal structure provides detailed insights into the specific non-covalent interactions driving the self-assembly of this molecule.
• The identified hydrogen bonding and pi-pi interactions are key determinants of the observed crystal packing.
• This structural information is valuable for the design of related organic materials.