(3,5-Dimethyl-1H-pyrazol-1-yl)tri-methyl-silane

Area of Science:

• Organosilicon Chemistry
• Crystallography
• Supramolecular Chemistry

Background:

• Silicon-nitrogen (Si-N) bonds are fundamental in organosilicon chemistry, influencing material properties.
• Understanding the structural nuances of Si-N compounds is crucial for designing new molecules.
• Pyrazolylsilanes represent a class of compounds with potential applications in various fields.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C8H16N2Si.
• To investigate the Si-N bond length and its comparison with related pyrazolylsilanes.
• To analyze the molecular conformation and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction analysis was employed to determine the crystal structure.
• The crystallographic data were analyzed to identify bond lengths, angles, and space group.
• The conformation of the trimethylsilyl group and pyrazolyl unit was examined.

Main Results:

• The compound crystallizes in the orthorhombic space group P212121 with one molecule in the asymmetric unit.
• A significantly long Si-N bond of 1.782(2) Å was observed, longer than in comparable silanes.
• Intermolecular C-H⋯N hydrogen bonds were identified, forming a molecular strand along the b-axis.

Conclusions:

• The structural analysis reveals unique bonding characteristics in this pyrazolylsilane derivative.
• The observed long Si-N bond suggests potential for novel reactivity or applications.
• The hydrogen bonding network plays a significant role in the supramolecular assembly of the compound.