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11:45
Preparation of Stable Bicyclic Aziridinium Ions and Their Ring-Opening for the Synthesis of Azaheterocycles
Published on: August 22, 2018
2,5-Dicarboxyanilinium chloride monohydrate.
Giuseppe Bruno1, Archimede Rotondo, Giovanna Brancatelli
1Dipartimento di Chimica Inorganica, Chimica Analitica e Chimica Fisica, Universitá degli Studi di Messina, Via Salita Sperone 31, 98166 Vill. S. Agata - Messina, Italy. gbruno@unime.it
Acta Crystallographica. Section C, Crystal Structure Communications
|September 30, 2006
Summary
This study characterizes the chlorohydrated form of 2-aminobenzene-1,4-dicarboxylic acid, revealing its crystal structure. Hydrogen bonds and pi-pi interactions stabilize the molecular sheets and layer stacking.
Area of Science:
- Crystallography
- Materials Science
- Chemical Physics
Background:
- The basic crystal structure of 2-aminobenzene-1,4-dicarboxylic acid remains unknown.
- Characterization of its hydrated and salt forms is crucial for understanding its properties.
Purpose of the Study:
- To determine the crystal structure of the chlorohydrated form of 2-aminobenzene-1,4-dicarboxylic acid (C8H8NO4+.Cl-.H2O).
- To elucidate the intermolecular interactions governing crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to analyze the crystal structure.
- Analysis of hydrogen bonding networks (N-H...O, O-H...O, N-H...Cl, O-H...Cl) and pi-pi interactions.
Main Results:
- The crystal structure reveals molecules linked into sheets via various hydrogen bonds, forming R6(4)(26), R6(4)(22), and R4(3)(22) rings.
- Inter-sheet stacking is further stabilized by N-H...Cl hydrogen bonds and aromatic pi-pi interactions.
Conclusions:
- The chlorohydrated form exhibits a complex hydrogen bonding network leading to sheet formation.
- Pi-pi interactions play a significant role in stabilizing the layered crystal structure.
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