N'-(2,3-Dimethoxy-benzyl-idene)-2,4-dihydroxy-benzohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Supramolecular Chemistry

Background:

• Understanding molecular structure and intermolecular interactions is crucial in materials science and drug design.
• Hydrogen bonding plays a significant role in determining the solid-state properties of organic compounds.
• The specific arrangement of molecules in a crystal lattice dictates macroscopic physical characteristics.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(16)H(16)N(2)O(5).
• To investigate the intra- and inter-molecular interactions, particularly hydrogen bonding, within the crystal.
• To characterize the overall molecular conformation and crystal packing.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
• Intermolecular interactions, including hydrogen bonds, were identified and analyzed using crystallographic data.

Main Results:

• The crystal structure of C(16)H(16)N(2)O(5) was successfully determined.
• A notable dihedral angle of 8.5(3)° between the two benzene rings was observed.
• The molecule adopts an E configuration around the C=N bond, with an intramolecular N-H⋯O hydrogen bond forming an S(6) ring.
• Intermolecular O-H⋯O hydrogen bonds link molecules into layers parallel to the bc plane.

Conclusions:

• The study provides a comprehensive structural analysis of C(16)H(16)N(2)O(5).
• The identified hydrogen bonding patterns are key to understanding the compound's solid-state organization.
• The findings contribute to the knowledge of structure-property relationships in organic crystalline materials.