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4-Hydroxy-3-methoxybenzaldehyde 4,5-diazafluoren-9-ylidenehydrazone
Shanmuga Sundara Raj S1, Fun, Lu
1X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 USM, Penang, Malaysia.
Summary
The crystal structure of C(19)H(14)N(4)O(2) reveals a planar molecule with a conjugated pi system. Molecules form chains via intermolecular hydrogen bonds in the crystal lattice.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding molecular packing and intermolecular interactions is crucial for predicting material properties.
- The title compound, C(19)H(14)N(4)O(2), possesses a structure amenable to interesting solid-state arrangements.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(19)H(14)N(4)O(2).
- To investigate the intermolecular interactions governing the solid-state packing of this molecule.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of the crystal structure focused on identifying hydrogen bonding and pi-system interactions.
Main Results:
- The title compound C(19)H(14)N(4)O(2) exhibits a nearly planar molecular conformation.
- A highly conjugated pi system is present throughout the molecule.
- Molecules are arranged in chains along the [011] crystallographic direction.
- Intermolecular hydrogen bonds of the O-H---N type link the molecules into these chains.
Conclusions:
- The planar, conjugated structure of C(19)H(14)N(4)O(2) facilitates efficient pi-system overlap in the solid state.
- Intermolecular hydrogen bonding plays a key role in directing the self-assembly of these molecules into one-dimensional chains.
- This structural motif may be relevant for applications in organic electronics or materials science where ordered molecular arrangements are beneficial.