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4-Hy-droxy-benzamide 1,4-dioxane hemisolvate
Srinu Tothadi1, Gautam R Desiraju
1Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore 560 012, India.
Acta Crystallographica. Section E, Structure Reports Online
|September 13, 2012
Summary
This study details the crystal structure of 4-hydroxy-benzamide with 1,4-dioxane, revealing extensive hydrogen bonding. The crystal lattice features amide-amide homodimers and interactions with dioxane molecules.
Area of Science:
- Crystallography
- Materials Science
- Organic Chemistry
Background:
- Understanding the crystal structure of organic compounds is crucial for predicting their physical and chemical properties.
- Hydrogen bonding plays a significant role in molecular self-assembly and material stability.
Purpose of the Study:
- To elucidate the crystal structure of 4-hydroxy-benzamide in complex with 1,4-dioxane.
- To analyze the hydrogen bonding network within the crystal.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of intermolecular interactions, specifically hydrogen bonds, was performed.
Main Results:
- The asymmetric unit contains one 4-hydroxy-benzamide molecule and half a 1,4-dioxane molecule.
- A comprehensive hydrogen bonding network was observed, including amide-amide homodimers and interactions involving dioxane.
- The crystal structure is stabilized by N-H⋯O(dioxane) and O-H⋯O(amide) hydrogen bonds.
Conclusions:
- The crystal structure of 4-hydroxy-benzamide co-crystallized with 1,4-dioxane has been successfully determined.
- The identified hydrogen bonding patterns dictate the supramolecular architecture and stability of the crystal.
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