3-(4-Nitro-phen-yl)-N-phenyl-oxirane-2-carboxamide
1College of Chemistry and Chemical Engineering, China West Normal University, Nanchong 637002, People's Republic of China.
Summary
The study reveals the syn conformation of a C(15)H(12)N(2)O(4) molecule, detailing its epoxide and benzene ring orientations. Crystal structure analysis identified weak intermolecular hydrogen bonding.
Area of Science:
- Organic Chemistry
- Crystallography
Background:
- Understanding molecular conformation is crucial in organic chemistry.
- The crystal structure provides insights into intermolecular interactions.
Purpose of the Study:
- To determine the molecular conformation of the title compound C(15)H(12)N(2)O(4).
- To analyze the spatial arrangement of benzene and epoxide rings.
- To investigate intermolecular interactions within the crystal structure.
Main Methods:
- Single-crystal X-ray diffraction was used to analyze the crystal structure.
- Conformational analysis was performed based on dihedral angles.
Main Results:
- The molecule adopts a syn conformation, with terminal benzene rings on the same side of the central epoxide ring.
- Dihedral angles between the epoxide ring and benzene rings were measured as 71.08° and 60.83°.
- Weak intermolecular C-H⋯O hydrogen bonding was observed in the crystal lattice.
Conclusions:
- The syn conformation and specific dihedral angles dictate the molecule's three-dimensional structure.
- Intermolecular hydrogen bonding influences the packing and stability of the crystal structure.
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