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Updated: Jun 1, 2026

Palladium N-Heterocyclic Carbene Complexes: Synthesis from Benzimidazolium Salts and Catalytic Activity in Carbon-carbon Bond-forming Reactions
Published on: July 30, 2017
tert-Butyl 6-acetamido-3,4-dihydro-2H-1,4-benzoxazine-4-carboxyl-ate
1Key Laboratory of Nuclear Medicine, Ministry of Health, Jiangsu Key Laboratory of Molecular Nuclear Medicine, Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.
This study details the crystal structure of a novel molecule, C(15)H(20)N(2)O(4), highlighting its unique fused ring system and intramolecular interactions. The findings reveal specific intermolecular hydrogen bonding patterns in its solid-state form.
Area of Science:
- Organic Chemistry
- Crystallography
- Supramolecular Chemistry
Background:
- The synthesis and structural characterization of novel organic compounds are crucial for advancing materials science and drug discovery.
- Understanding intermolecular interactions, such as hydrogen bonding, is key to predicting and controlling crystal packing and material properties.
Purpose of the Study:
- To elucidate the crystal structure and intermolecular interactions of the title molecule, C(15)H(20)N(2)O(4).
- To investigate the presence and role of intramolecular and intermolecular hydrogen bonding in the solid state.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular and crystal structure.
- Analysis of the crystal structure data to identify and characterize hydrogen bonding networks.
Main Results:
- The title molecule, C(15)H(20)N(2)O(4), possesses a unique structure featuring a benzene ring fused to an oxazine ring.
- An intramolecular C-H⋯O interaction was identified within the molecule.
- The crystal packing is governed by intermolecular N-H⋯O and C-H⋯O hydrogen bonds, forming a linked network.
Conclusions:
- The study successfully characterized the crystal structure of C(15)H(20)N(2)O(4), revealing key structural features.
- The identified intramolecular and intermolecular hydrogen bonds provide insights into the molecule's stability and solid-state behavior.
- This structural information can serve as a foundation for further research in related chemical and material science fields.
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