1-Benzoyl-4-(2-nitro-phen-yl)semicarbazide
Ting Sun1, Gong-Chun Li, Jing Li
1College of Chemistry and Chemical Engineering, Xuchang University, Xuchang, Henan Province 461000, People's Republic of China.
Summary
Researchers synthesized a novel organic compound, C(14)H(12)N(4)O(4), using 2-nitro-phenyl isocyanate and benzoyl-hydrazine. Molecular analysis revealed a specific dihedral angle and stabilization through intramolecular hydrogen bonding.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Isocyanates and hydrazines are key building blocks in organic synthesis.
- Understanding molecular conformation and hydrogen bonding is crucial for predicting chemical properties.
Purpose of the Study:
- To synthesize and characterize a novel organic compound.
- To investigate the molecular conformation and crystal packing of the synthesized compound.
Main Methods:
- Synthesis via the reaction of 2-nitro-phenyl isocyanate with benzoyl-hydrazine.
- X-ray crystallography to determine the dihedral angle and hydrogen bonding interactions.
Main Results:
- The compound C(14)H(12)N(4)O(4) was successfully synthesized.
- A dihedral angle of 71.49(6) Å between the rings was observed.
- Intramolecular N-H⋯O hydrogen bonds stabilize the molecular conformation, forming an S(6) ring.
Conclusions:
- The synthesized compound exhibits a unique molecular conformation stabilized by intramolecular hydrogen bonding.
- Crystal packing is influenced by intermolecular N-H⋯O hydrogen bonds.
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