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l-Tyrosine isopropyl ester.

Nelson Nuñez-Dallos¹, Klaus Wurst, Rodolfo Quevedo

¹Universidad Nacional de Colombia, Sede Bogotá, Facultad de Ciencias, Departamento de Química, Cra 30 No. 45-03, Bogotá, 4-72 Colombia.

Acta Crystallographica. Section E, Structure Reports Online

|January 4, 2013

Summary

This summary is machine-generated.

This study reveals the folded molecular structure of C(12)H(17)NO(3) in its crystalline form. Molecules self-assemble into helical chains via hydrogen bonding, showcasing crystal packing interactions.

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Area of Science:

Crystallography
Molecular structure determination
Chemical bonding

Background:

Understanding molecular conformation is crucial in chemistry.
Crystal structure analysis provides insights into intermolecular forces.
The compound C(12)H(17)NO(3) was selected for structural investigation.

Purpose of the Study:

To determine the three-dimensional structure of C(12)H(17)NO(3).
To investigate the intermolecular interactions in the crystalline state.
To characterize the hydrogen bonding network.

Main Methods:

Single-crystal X-ray diffraction was employed.
The crystal structure was solved and refined.
Geometric parameters, including torsion angles, were analyzed.

Main Results:

The compound C(12)H(17)NO(3) adopts a folded conformation.
A key C-C(NH(2))-C(=O)-O torsion angle of -95.9(2)° was observed.
Molecules form helical chains via O-H⋯N hydrogen bonds along the b-axis.
Additional weak N-H⋯O and C-H⋯O hydrogen bonds were identified.

Conclusions:

The crystal packing of C(12)H(17)NO(3) is dominated by a specific hydrogen bonding motif.
The observed folded conformation influences the crystal architecture.
Detailed structural information was obtained for this compound.