N'-(2-Chloro-benzyl-idene)-4-hydroxy-benzohydrazide
1Department of Chemistry, Baicheng Normal University, Baicheng 137000, People's Republic of China.
Summary
The crystal structure of C(14)H(11)ClN(2)O(2) reveals a 30.53° dihedral angle between benzene rings. Intermolecular hydrogen bonds and π-π contacts stabilize the 2D network, with the crystal identified as an inversion twin.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular interactions and crystal packing is crucial in solid-state chemistry.
- The title compound, C(14)H(11)ClN(2)O(2), presents an interesting case for structural analysis due to its aromatic and hydrogen-bonding functionalities.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(14)H(11)ClN(2)O(2).
- To investigate the intermolecular interactions, including hydrogen bonding and π-π stacking, that govern the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of hydrogen bond donors (O-H, N-H) and acceptors (O) was performed.
- π-π interactions between benzene rings were quantified by measuring centroid-centroid distances.
Main Results:
- The molecular structure exhibits a dihedral angle of 30.53°(4) between the two benzene rings.
- Intermolecular O-H⋯O and N-H⋯O hydrogen bonds form a two-dimensional network.
- Stabilizing π-π contacts with a centroid-centroid distance of 3.619(1) Å were observed between benzene rings.
- The crystal was identified as an inversion twin.
Conclusions:
- The crystal structure of C(14)H(11)ClN(2)O(2) is characterized by a significant dihedral angle between its benzene rings.
- Hydrogen bonding and π-π stacking are key non-covalent interactions dictating the observed 2D network structure.
- The presence of an inversion twin highlights the importance of twinning analysis in crystallographic studies.
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