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(E)-N'-(3-Fluoro-benzyl-idene)-3-nitro-benzohydrazide
1Zibo Vocational Institute, Zibo 255314, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|March 14, 2012
Summary
This study details the molecular structure of C(14)H(10)FN(3)O(3), revealing a trans conformation and specific dihedral angles between benzene rings. Molecules form hydrogen-bonded chains in the crystal structure.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding the three-dimensional arrangement of atoms in organic molecules is crucial for predicting their properties and reactivity.
- Crystal structure analysis provides precise details about molecular conformation and intermolecular interactions.
Purpose of the Study:
- To elucidate the crystal structure and molecular conformation of the title compound, C(14)H(10)FN(3)O(3).
- To investigate the intermolecular interactions present in the solid state.
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 conformational information.
Main Results:
- The molecule C(14)H(10)FN(3)O(3) was confirmed to exist in a trans conformation around the methylidene unit.
- A dihedral angle of 5.1(2)° was measured between the two benzene rings.
- N-H⋯O hydrogen bonds were identified as the primary intermolecular forces, leading to the formation of chains along the c axis.
Conclusions:
- The crystal packing of C(14)H(10)FN(3)O(3) is dictated by specific hydrogen bonding patterns.
- The determined molecular conformation and intermolecular interactions offer insights into the solid-state behavior of this fluorinated organic compound.
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