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Ethyl (E)-3-(2-hydroxyphenyl)-2-(morpholinocarbonyl)propenoate.
Juana E Pérez-Vargas1, Francisco J Martínez-Martínez, Itzia I Padilla-Martínez
1Unidad Profesional Interdisciplinaria de Biotecnología del Instituto Politécnico Nacional, Avenida Acueducto s/n, Barrio La Laguna Ticomán, México DF 07340, México.
Summary
This study reveals how a specific organic compound (C16H19NO5) forms dimers via hydrogen bonds. These interactions influence its crystal structure and molecular arrangement.
Area of Science:
- Crystal Engineering
- Supramolecular Chemistry
- Organic Chemistry
Background:
- Understanding intermolecular forces is crucial for designing materials with specific properties.
- Hydrogen bonding plays a significant role in molecular self-assembly and crystal packing.
Purpose of the Study:
- To investigate the crystal structure and intermolecular interactions of the title compound (C16H19NO5).
- To elucidate the role of hydrogen bonding in forming a centrosymmetric dimer.
Main Methods:
- Single-crystal X-ray diffraction analysis.
- Analysis of hydrogen bonding interactions (O-H...O and C-H...O).
- Assessment of molecular conformation and electronic effects.
Main Results:
- The compound crystallizes as a centrosymmetric dimer.
- Strong O-H...O hydrogen bonds link the hydroxyphenyl and morpholinocarbonyl groups.
- Electron delocalization in the N-C(=O) fragment facilitates C-H...O interactions, forming S(5) ring motifs.
Conclusions:
- The observed crystal structure is dictated by specific hydrogen bonding patterns.
- The interplay between hydrogen bonding and electronic effects governs the formation of supramolecular assemblies.
- This detailed structural analysis provides insights into the self-assembly of organic molecules.