N'-[(E)-4-Hydr-oxy-3-methoxy-benzyl-idene]benzohydrazide

Area of Science:

• Crystallography
• Organic Chemistry
• Materials Science

Background:

• Understanding molecular structure and intermolecular interactions is crucial for predicting material properties.
• Crystal structure analysis provides fundamental insights into the arrangement of atoms and molecules in solid-state compounds.

Purpose of the Study:

• To elucidate the detailed crystal structure of the title compound, C(15)H(14)N(2)O(3).
• To characterize the phenyl ring disorder and the orientation of aromatic systems within the crystal lattice.
• To identify and analyze the intermolecular interactions responsible for the formation of the three-dimensional network.

Main Methods:

• Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
• Analysis of atomic coordinates and bond parameters to describe molecular geometry.
• Identification of hydrogen bonds and other non-covalent interactions using crystallographic data.

Main Results:

• The crystal structure of C(15)H(14)N(2)O(3) was determined, with the phenyl ring exhibiting disorder over two sites (0.810:0.190 occupancy).
• Significant dihedral angles were observed between the benzene and phenyl rings (69.18° and 26.0° for major/minor orientations).
• An intramolecular O-H⋯O hydrogen bond was identified, alongside N-H⋯O, O-H⋯O, and C-H⋯O intermolecular interactions forming a 3D network.

Conclusions:

• The crystal structure of C(15)H(14)N(2)O(3) is characterized by phenyl ring disorder and specific aromatic ring orientations.
• Intermolecular hydrogen bonding and other weak interactions play a key role in assembling the molecules into a stable three-dimensional supramolecular architecture.
• This detailed structural information is vital for understanding the compound's physical properties and potential applications.