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(S)-2-Ammonio-3-(4-nitro-phen-yl)propanoate monohydrate
1Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study characterizes a novel compound, C(9)H(10)N(2)O(4)·H(2)O, revealing its zwitterionic nature and crystal structure. Hydrogen bonds stabilize the molecular sheets, and its absolute configuration was determined via synthesis.
Area of Science:
- Crystallography
- Organic Chemistry
- Chemical Physics
Background:
- Understanding the structural and chemical properties of novel organic compounds is crucial in various scientific disciplines.
- Zwitterions, molecules with both positive and negative charges, exhibit unique chemical behaviors and intermolecular interactions.
- Crystal packing analysis provides insights into the solid-state properties and stability of chemical compounds.
Purpose of the Study:
- To elucidate the crystal structure and chemical characteristics of the title compound, C(9)H(10)N(2)O(4)·H(2)O.
- To investigate the intermolecular forces, specifically hydrogen bonding, that govern the compound's crystal packing.
- To determine the absolute configuration of the compound through its synthetic route.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Spectroscopic techniques were utilized to confirm the compound's chemical identity and zwitterionic nature.
- Analysis of hydrogen bonding networks (N-H⋯O and O-H⋯O) and their role in crystal stabilization.
Main Results:
- The title compound, C(9)H(10)N(2)O(4)·H(2)O, was confirmed to exist as a zwitterion, featuring a deprotonated carboxyl group and a protonated amino group.
- Crystal structure analysis revealed sheets parallel to the (001) plane, stabilized by a network of N-H⋯O and O-H⋯O hydrogen bonds.
- The synthetic pathway allowed for the deduction of the compound's absolute configuration.
Conclusions:
- The compound C(9)H(10)N(2)O(4)·H(2)O exhibits a zwitterionic structure stabilized by significant hydrogen bonding in its crystal lattice.
- The study successfully determined the crystal packing and absolute configuration, contributing to the understanding of this class of compounds.
- This research provides a foundation for further investigations into the properties and applications of zwitterionic compounds with similar structural motifs.
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