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Updated: Jun 1, 2026
14:18
A Strategy for Sensitive, Large Scale Quantitative Metabolomics
Published on: May 27, 2014
3-[(3,4-Dichloro-phen-yl)amino-carbon-yl]propionic acid
Summary
This study reveals the crystal structure of a dichloro compound, highlighting hydrogen bonds that form dimers and chains. These molecular interactions dictate the compound's solid-state arrangement and properties.
Area of Science:
- Crystallography
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding the solid-state structure of organic compounds is crucial for predicting their physical and chemical properties.
- Hydrogen bonding plays a significant role in molecular self-assembly and the formation of extended networks.
Purpose of the Study:
- To elucidate the crystal structure of the title compound, C(10)H(9)Cl(2)NO(3).
- To investigate the role of intermolecular and intramolecular interactions in the molecular packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional molecular structure.
- Analysis of hydrogen bonding and other non-covalent interactions was performed.
Main Results:
- The crystal structure is characterized by inversion dimers formed via intermolecular O-H⋯O hydrogen bonds between carboxyl groups, creating R(2)(2)(8) loops.
- These dimers are further linked into C(4) chains along the a-axis through intermolecular N-H⋯O interactions.
- A short intramolecular C-H⋯O contact was also identified within the molecule.
Conclusions:
- The study successfully determined the crystal structure and identified key hydrogen bonding motifs.
- The observed intermolecular interactions dictate the formation of dimers and chains, influencing the overall crystal packing and supramolecular architecture.
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For acyclic saturated monocarboxylic acids, the longest hydrocarbon chain containing the –COOH carbon is identified as the parent chain. Then, the last -e of the parent hydrocarbon name is replaced with a suffix -oic acid.
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