N,N',N",N"'-Tetraethylterephthalamidinium bis(tetrazolate).

Area of Science:

• Crystal structure analysis
• Supramolecular chemistry
• Hydrogen bonding

Background:

• Understanding the self-assembly of organic molecules is crucial in materials science.
• Hydrogen bonds play a significant role in the structural organization of crystalline solids.
• Tetrazole and amidine derivatives are important building blocks in medicinal chemistry and materials science.

Purpose of the Study:

• To determine the crystal structure of the 2:1 salt formed between tetrazole and a substituted terephthalamidine.
• To investigate the hydrogen bonding interactions within the crystal lattice.
• To identify characteristic binding patterns of the tetrazolate anion.

Main Methods:

• Single-crystal X-ray diffraction was employed to elucidate the three-dimensional structure.
• Analysis of intermolecular distances and angles to characterize hydrogen bonding.
• Comparison with known structures to identify common binding motifs.

Main Results:

• The crystal structure of the C(16)H(28)N(4)(2+).2CHN(4)(-) salt was successfully determined.
• An infinite network of hydrogen bonds was observed, connecting the amidinium cations and tetrazolate anions.
• Short N-N distances (2.820(2) and 2.8585(19) Å) indicate strong hydrogen bonding.
• Lateral nitrogen atoms of the tetrazole ring were involved in hydrogen bonding.

Conclusions:

• The crystal structure reveals a robust hydrogen-bonding network mediated by tetrazolate anions and amidinium cations.
• The involvement of lateral nitrogen atoms in hydrogen bonding represents a typical and stable binding pattern for tetrazolate anions.
• This finding contributes to the understanding of supramolecular assembly in organic salts and has implications for crystal engineering.