2-Hydr-oxy-N'-(2-hydr-oxy-3-meth-oxy-5-nitro-benzyl-idene)-3-methyl-benzo-hydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Molecular Structure

Background:

• Understanding the three-dimensional arrangement of atoms in organic molecules is fundamental.
• Crystal structure analysis provides insights into intermolecular forces and solid-state properties.
• Hydrogen bonding plays a crucial role in molecular self-assembly and material characteristics.

Purpose of the Study:

• To elucidate the crystal structure of the compound C(16)H(15)N(3)O(6).
• To investigate the molecular geometry, including dihedral angles and bond configurations.
• To characterize the intra- and intermolecular hydrogen bonding networks within the crystal.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of bond lengths, bond angles, and dihedral angles provided geometric information.
• Identification and analysis of hydrogen bonding interactions (intra- and intermolecular) were performed.

Main Results:

• The dihedral angle between the two benzene rings in C(16)H(15)N(3)O(6) was determined to be 0.9(2)°.
• The molecule exhibits an E configuration around the C=N bond.
• Intramolecular O-H⋯N and O-H⋯O hydrogen bonds were observed within the molecule.
• Intermolecular N-H⋯O hydrogen bonds link molecules into chains along the c-axis in the crystal.

Conclusions:

• The crystal structure of C(16)H(15)N(3)O(6) reveals a specific molecular conformation and arrangement.
• The identified hydrogen bonding patterns are key to the formation of the observed one-dimensional chains.
• This structural information is valuable for understanding the physical properties and potential applications of this compound.