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

Area of Science:

• Crystallography
• Supramolecular Chemistry
• Chemical Physics

Background:

• Understanding molecular packing is crucial for predicting material properties.
• Hydrogen bonding plays a key role in the self-assembly of crystalline structures.
• The specific compound C(10)H(12)N(2)O(3)·2H(2)O's crystal structure has not been previously detailed.

Purpose of the Study:

• To elucidate the crystal structure of C(10)H(12)N(2)O(3)·2H(2)O.
• To analyze the intermolecular interactions, particularly hydrogen bonding, within the crystal lattice.
• To describe the conformation and arrangement of organic molecules and water molecules in the asymmetric unit.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the crystal structure.
• Analysis of the asymmetric unit content, including organic molecules and water.
• Identification and characterization of hydrogen bonding networks (N-H⋯O, O-H⋯O, O-H⋯N, C-H⋯O).

Main Results:

• The asymmetric unit contains two similar organic molecules and four water molecules.
• Organic molecules are nearly planar and adopt a trans conformation around the C=N bond.
• A three-dimensional hydrogen bond network, including bifurcated bonds and an R(2)(2)(8) loop, links all components.

Conclusions:

• The crystal structure of C(10)H(12)N(2)O(3)·2H(2)O is characterized by a robust 3D hydrogen bonding network.
• The observed molecular conformations and packing motifs provide insights into the solid-state behavior of this compound.
• The study contributes to the understanding of crystal engineering principles through detailed structural analysis.