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2-Aza-niumyl-4-(ethyl-carbamo-yl)butano-ate: the zwitterionic form of the amino acid theanine.

Kang SK, Chen YH, Qian SS, Hu H - Acta Crystallogr Sect E Struct Rep Online (2010)

Bottom Line: In the title zwitterion, C(7)H(14)N(2)O(3), the ethyl-amino and the 5-oxo groups are positionally disordered with occupancy ratios of 0.50:0.50 and 0.70:0.30, respectively.The terminal ethyl -CH(3) group undergoes considerable thermal motion.In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a two-dimensional arrangement propagating in the bc plane.

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Affiliation: School of Life Science, ShanDong University of Technology, ZiBo 255049, People's Republic of China.

ABSTRACT
In the title zwitterion, C(7)H(14)N(2)O(3), the ethyl-amino and the 5-oxo groups are positionally disordered with occupancy ratios of 0.50:0.50 and 0.70:0.30, respectively. The terminal ethyl -CH(3) group undergoes considerable thermal motion. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a two-dimensional arrangement propagating in the bc plane.

No MeSH data available.


The molecular structure of the title compound, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. The ethylamino group (atoms N2,C6,C7/N2',C6',C7': occupancies 0.5/0.5) and the 5-oxo (O2/O2': occupancies 0.7/0.3) atom are positionally disordered.
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Fap1: The molecular structure of the title compound, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. The ethylamino group (atoms N2,C6,C7/N2',C6',C7': occupancies 0.5/0.5) and the 5-oxo (O2/O2': occupancies 0.7/0.3) atom are positionally disordered.


2-Aza-niumyl-4-(ethyl-carbamo-yl)butano-ate: the zwitterionic form of the amino acid theanine.

Kang SK, Chen YH, Qian SS, Hu H - Acta Crystallogr Sect E Struct Rep Online (2010)

The molecular structure of the title compound, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. The ethylamino group (atoms N2,C6,C7/N2',C6',C7': occupancies 0.5/0.5) and the 5-oxo (O2/O2': occupancies 0.7/0.3) atom are positionally disordered.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3050375&req=5

Fap1: The molecular structure of the title compound, showing the atom-labelling scheme. Displacement ellipsoids are drawn at the 30% probability level. The ethylamino group (atoms N2,C6,C7/N2',C6',C7': occupancies 0.5/0.5) and the 5-oxo (O2/O2': occupancies 0.7/0.3) atom are positionally disordered.
Bottom Line: In the title zwitterion, C(7)H(14)N(2)O(3), the ethyl-amino and the 5-oxo groups are positionally disordered with occupancy ratios of 0.50:0.50 and 0.70:0.30, respectively.The terminal ethyl -CH(3) group undergoes considerable thermal motion.In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a two-dimensional arrangement propagating in the bc plane.

View Article: PubMed Central - HTML - PubMed

Affiliation: School of Life Science, ShanDong University of Technology, ZiBo 255049, People's Republic of China.

ABSTRACT
In the title zwitterion, C(7)H(14)N(2)O(3), the ethyl-amino and the 5-oxo groups are positionally disordered with occupancy ratios of 0.50:0.50 and 0.70:0.30, respectively. The terminal ethyl -CH(3) group undergoes considerable thermal motion. In the crystal, mol-ecules are linked via N-H⋯O hydrogen bonds, forming a two-dimensional arrangement propagating in the bc plane.

No MeSH data available.