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(2E)-2-(4-Fluoro-benzyl-idene)hydrazinecarboxamide
Acta Crystallographica. Section E, Structure Reports Online
|January 6, 2012
Summary
Structural analysis of a fluorinated semicarbazide compound reveals a near-planar semicarbazide group. Molecules form layered crystal structures through hydrogen bonding, offering insights into molecular assembly.
Area of Science:
- Crystallography
- Organic Chemistry
- Materials Science
Background:
- Understanding the three-dimensional structure of organic molecules is crucial for predicting their properties and interactions.
- Semicarbazide derivatives are known for their diverse biological activities and applications in coordination chemistry.
- Fluorinated aromatic compounds often exhibit unique electronic and physical characteristics.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(8)H(8)FN(3)O.
- To investigate the planarity of the semicarbazide group and its orientation relative to the fluorobenzene ring.
- To characterize the intermolecular interactions governing the crystal packing.
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 networks were performed.
Main Results:
- The semicarbazide group in C(8)H(8)FN(3)O is nearly planar, with a maximum deviation of 0.020(1) Å.
- A dihedral angle of 16.63(9)° was observed between the semicarbazide group and the fluorobenzene ring.
- Intermolecular N-H⋯O hydrogen bonds link molecules into layers parallel to the bc plane.
Conclusions:
- The study provides a detailed structural description of the title compound.
- The observed planarity and hydrogen bonding pattern influence the solid-state architecture.
- This structural information can be valuable for designing related functional materials.
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