(E)-Methyl N'-(3-hy-droxy-benzyl-idene)hydrazinecarboxyl-ate dihydrate

Area of Science:

• Crystallography
• Chemical structure determination
• Supramolecular chemistry

Background:

• Understanding the solid-state behavior of organic compounds is crucial for materials science.
• Hydrated crystal structures can exhibit unique properties influenced by water molecules.
• Hydrogen bonding plays a key role in molecular self-assembly and crystal packing.

Purpose of the Study:

• To elucidate the crystal structure of the title compound, C(9)H(10)N(2)O(3)·2H(2)O.
• To investigate the molecular conformation and intermolecular interactions within the crystal lattice.
• To characterize the hydrogen bonding network responsible for the three-dimensional structure.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• The crystallographic data were analyzed to identify the number of organic and water molecules in the asymmetric unit.
• Conformational analysis and hydrogen bond geometry were examined.

Main Results:

• The asymmetric unit contains two organic molecules and four water molecules.
• Both organic molecules adopt a trans conformation around the C=N bond.
• The dihedral angles between the side chain and the aromatic ring are small (9.34(8)° and 4.96(8)°), indicating near-planar geometry.
• A three-dimensional network is formed through N-H⋯O and O-H⋯O hydrogen bonds.

Conclusions:

• The title compound crystallizes as a hydrate with a well-defined molecular arrangement.
• The observed trans conformation and near-planar geometry are key features of the organic molecules.
• The extensive hydrogen bonding network dictates the formation of a stable three-dimensional crystal structure.