2-Hy-droxy-N'-methyl-5-nitro-benzohydrazide

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Chemical Physics

Background:

• Understanding molecular interactions is crucial in chemistry.
• Hydrogen bonding plays a key role in crystal engineering and material properties.

Purpose of the Study:

• To elucidate the crystal structure of the title compound C8H9N3O4.
• To characterize the types and arrangements of hydrogen bonds within the crystal lattice.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of hydrogen bonding interactions, including intra- and inter-molecular bonds.

Main Results:

• The asymmetric unit contains two molecules of C8H9N3O4, one in a zwitterionic form.
• The zwitterion exhibits an intramolecular N-H⋯O hydrogen bond.
• The other molecule features both intramolecular N-H⋯O and O-H⋯O hydrogen bonds.
• Intermolecular N-H⋯O and N-H⋯N hydrogen bonds link molecules into a 2D network parallel to the (10-1) plane.

Conclusions:

• The crystal structure of C8H9N3O4 is characterized by distinct intra- and inter-molecular hydrogen bonding patterns.
• These interactions lead to the formation of a specific two-dimensional supramolecular network.
• The findings contribute to the understanding of hydrogen bonding in organic compounds and crystal engineering.