1-(4-Amino-3,5-dichloro-phen-yl)ethanol

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding the crystal structure of organic compounds is crucial for predicting their physical and chemical properties.
• Intermolecular interactions, such as hydrogen bonding and π-π stacking, significantly influence crystal packing and material behavior.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(8)H(9)Cl(2)NO.
• To investigate the types and significance of intermolecular interactions present in the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional structure of the compound.
• Analysis of the crystal structure involved identifying hydrogen bonds and aromatic π-π stacking interactions.

Main Results:

• The asymmetric unit contains two crystallographically independent molecules.
• An N-H⋯O hydrogen bond connects the two independent molecules.
• Aromatic π-π stacking was observed between benzene rings with a centroid-centroid distance of 3.48(2) Å.
• The crystal packing is further stabilized by other intermolecular hydrogen bonds.

Conclusions:

• The crystal structure of C(8)H(9)Cl(2)NO is characterized by the presence of two independent molecules linked by hydrogen bonds.
• Aromatic π-π stacking plays a role in the overall crystal architecture.
• These intermolecular forces dictate the stability and arrangement of molecules in the solid state.