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

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.

SUBMITTER: Kang SK

PROVIDER: S-EPMC3050375 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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

Kang Shou-Kai SK Chen Yue-Hu YH Qian Shao-Song SS Hu Hao H

Acta crystallographica. Section E, Structure reports online 20101211 Pt 1

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. ...[more]

PMID: 21522793

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