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(S)-1-Carb-oxy-2-(4-nitro-phen-yl)ethanaminium bromide
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
This study details the crystal structure of a compound, highlighting hydrogen bonding between ethanaminium cations and bromide anions. The nitro group on the benzene ring exhibits a significant twist, measured at a dihedral angle of 21.43 degrees.
Area of Science:
- Crystallography
- Chemical Physics
Background:
- Understanding molecular interactions is crucial in chemical physics.
- Crystal structure analysis reveals detailed atomic arrangements and bonding.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(9)H(11)N(2)O(4) (+)·Br(-).
- To investigate the hydrogen bonding interactions present in the crystal lattice.
- To quantify the conformation of the nitro group relative to the benzene ring.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the crystal structure.
- Analysis of intermolecular and intramolecular interactions, including hydrogen bonding.
Main Results:
- The crystal structure consists of ethanaminium cations and bromide anions.
- N-H⋯Br and O-H⋯Br hydrogen bonds link the cations and anions.
- A dihedral angle of 21.43(5)° was measured between the nitro group and the benzene ring in the cation.
Conclusions:
- The crystal packing is stabilized by extensive hydrogen bonding.
- The observed nitro group twist influences the overall molecular conformation and crystal architecture.
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