Methyl 4,6-dichloro-pyridine-3-carboxyl-ate

Area of Science:

• Crystallography
• Chemical Physics
• Materials Science

Background:

• Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
• The specific compound C(7)H(5)Cl(2)NO(2) has not been extensively studied in terms of its crystal packing.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(7)H(5)Cl(2)NO(2).
• To analyze the molecular geometry and intermolecular interactions within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of bond lengths, bond angles, and intermolecular forces (hydrogen bonding) was performed.

Main Results:

• The asymmetric unit contains two independent molecules of C(7)H(5)Cl(2)NO(2).
• Both molecules exhibit standard bond lengths and angles, indicating typical covalent bonding.
• Weak intermolecular C-H⋯O hydrogen bonds were identified as the primary interaction driving crystal packing.
• These interactions organize the molecules into distinct layers parallel to the [010] crystallographic plane.

Conclusions:

• The crystal structure of C(7)H(5)Cl(2)NO(2) is characterized by discrete molecular units with normal geometry.
• Intermolecular hydrogen bonding plays a significant role in the formation of a layered crystal architecture.
• The findings provide fundamental insights into the solid-state behavior of this dichloro-nitro compound.