N (2)-(4-Meth-oxy-salicyl-idene)arginine hemihydrate.

ABSTRACT: The title compound, C14H20N4O4·0.5H2O [systematic name: (2S)-5-{[amino-(iminium-yl)meth-yl]amino}-2-{[(1Z)-4-meth-oxy-2-oxido-benzyl-idene]aza-nium-yl}penta-noate hemihydrate], has been synthesized by the reaction of l-arginine and 4-meth-oxy-salicyl-aldehyde and crystallizes with two independent substituted l-arginine mol-ecules and one water mol-ecule of solvation in the asymmetric unit. Each mol-ecule exists as a zwitterion and adopts a Z configuration about the central C=N. The mol-ecular conformation is stabilized by strong intra-molecular N-H?O hydrogen bonds that generate S(6) and S(10) ring motifs. Inter-molecular N-H?O and O-H?O hydrogen bonds involving also the water mol-ecule and weak inter-molecular C-H?Owater inter-actions link the mol-ecules into an infinite one-dimensional ribbon structure extending along the b axis. The known (2S) absolute configuration for l-arginine was invoked. Weak intermolecular C-H?? interactions are also present.

SUBMITTER: Sethuram M 

PROVIDER: S-EPMC3793792 | biostudies-other | 2013

REPOSITORIES: biostudies-other