2,6-Anhydro-1,3-di-O-benzyl-d-mannitol
Acta Crystallographica. Section E, Structure Reports Online
|August 13, 2011
Summary
This study details the molecular structure of a specific organic compound, C(20)H(24)O(5). Researchers identified chair conformation in the pyranose ring and characterized intermolecular hydrogen bonds forming infinite chains.
Area of Science:
- Organic Chemistry
- Crystallography
- Molecular Structure
Background:
- Understanding molecular conformation and intermolecular interactions is crucial in organic chemistry.
- The specific compound C(20)H(24)O(5) presents an interesting case for structural analysis.
Purpose of the Study:
- To elucidate the detailed molecular structure and conformation of the title compound, C(20)H(24)O(5).
- To investigate the intermolecular interactions, including hydrogen bonding, that dictate the crystal packing.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the three-dimensional structure.
- Analysis of bond lengths, bond angles, and dihedral angles provided conformational information.
- Intermolecular interactions were identified and characterized using crystallographic data.
Main Results:
- The six-membered pyranose ring was found to adopt a chair conformation.
- A dihedral angle of 63.1° was measured between the phenyl group planes of the benzyl substituents.
- Two types of intermolecular O-H⋯O hydrogen bonds were observed, leading to the formation of infinite chains along the b axis.
- Weak C-H⋯O contacts were identified between neighboring chains.
Conclusions:
- The crystal structure of C(20)H(24)O(5) is characterized by a chair conformation of the pyranose ring.
- Intermolecular hydrogen bonding plays a significant role in organizing the molecules into infinite chains.
- The overall crystal packing is influenced by both strong hydrogen bonds and weaker C-H⋯O contacts.
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