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Acta Crystallographica. Section E, Structure Reports Online
|January 5, 2011
Summary
This study details the molecular structure of C(9)H(11)NO(2), revealing intramolecular hydrogen bonding that forms a planar ring. Intermolecular hydrogen bonds further organize these molecules into crystal chains.
Area of Science:
- Crystallography
- Organic Chemistry
- Molecular Structure Analysis
Background:
- Understanding molecular interactions is crucial in chemistry.
- Hydrogen bonding plays a significant role in crystal packing and molecular conformation.
- The specific compound C(9)H(11)NO(2) requires detailed structural investigation.
Purpose of the Study:
- To elucidate the detailed molecular structure of the title compound, C(9)H(11)NO(2).
- To investigate the presence and influence of intra-molecular and inter-molecular hydrogen bonding.
- To describe the crystal packing arrangement.
Main Methods:
- Single-crystal X-ray diffraction was employed to determine the molecular and crystal structure.
- Analysis of bond lengths, bond angles, and dihedral angles.
- Identification and analysis of hydrogen bonding networks.
Main Results:
- The methyl and amino groups are in the plane of the benzene ring.
- Intra-molecular C-H⋯O hydrogen bonding forms a planar five-membered ring, nearly coplanar with the benzene ring (dihedral angle 2.73°).
- Inter-molecular N-H⋯O hydrogen bonds link molecules into chains along the c axis and stacked along the b axis.
Conclusions:
- The compound C(9)H(11)NO(2) exhibits specific intra-molecular hydrogen bonding influencing its conformation.
- Crystal structure analysis reveals a defined chain-like arrangement driven by inter-molecular hydrogen bonds.
- The findings contribute to the understanding of hydrogen bonding in organic crystal engineering.
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