2-Cyano-anilinium tetra-fluoro-borate

Area of Science:

• Crystal Chemistry
• Supramolecular Chemistry

Background:

• Understanding the solid-state structures of organic salts is crucial for predicting their physical and chemical properties.
• Hydrogen bonding plays a significant role in the self-assembly of crystalline materials.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(7)H(7)N(2) (+)·BF(4) (-).
• To investigate the intermolecular interactions, specifically hydrogen bonding, within the crystal lattice.
• To characterize the resulting network architecture formed by these interactions.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional arrangement of atoms.
• Analysis of atomic coordinates and bond lengths/angles to assess cation planarity.
• Identification and analysis of hydrogen bonding networks (N-H⋯F and N-H⋯N).

Main Results:

• The non-hydrogen atoms of the cation exhibit near planarity, with a root-mean-square deviation of 0.035 Å.
• Intermolecular hydrogen bonds of the N-H⋯F and N-H⋯N types were identified between the cation and anion.
• These hydrogen bonds facilitate the formation of a two-dimensional network structure parallel to the (10) plane.

Conclusions:

• The title compound crystallizes with a planar organic cation and a tetrafluoroborate anion.
• A robust two-dimensional supramolecular network is established through specific intermolecular hydrogen bonding interactions.
• The structural findings provide insights into the packing and bonding characteristics of this class of organic salts.