2-(Trimethyl-siloxy)adamantane-2-carbonitrile

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Organic Chemistry

Background:

• Understanding intermolecular interactions is crucial for predicting material properties.
• Hydrogen bonding plays a significant role in molecular self-assembly and crystal engineering.
• The specific compound C(14)H(23)NOSi has not been extensively studied in terms of its solid-state structure.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(14)H(23)NOSi.
• To characterize the nature and strength of intermolecular interactions present in the crystal lattice.
• To identify the supramolecular architecture formed by the molecules in the solid state.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
• Analysis of hydrogen bonding interactions, including distances and angles.
• Application of graph-set descriptors to classify the observed supramolecular motifs.

Main Results:

• The crystal structure of C(14)H(23)NOSi was successfully determined.
• Cyclic dimeric units were identified, stabilized by two weak C-H⋯N hydrogen bonds.
• The H⋯N distances were found to be only slightly shorter than the sum of van der Waals radii (2.75 Å).
• The graph-set descriptor R(2)(2)(14) was assigned to the observed cyclic dimer.

Conclusions:

• The crystal packing of C(14)H(23)NOSi is governed by weak C-H⋯N hydrogen bonds.
• These weak interactions lead to the formation of stable cyclic dimeric units.
• The findings contribute to the understanding of non-covalent interactions in organosilicon compounds.