
%0 Journal Article
%A Hegarty, MP 
%A Kennard, CHL 
%A Byriel, KA 
%A Smith, G 
%T The Crystal Structure of Indospicine Hydrochloride Hydrate
%J Australian Journal of Chemistry
%D 1992/06/01
%V 45
%N 6
%P 1021-1025
%K 
%R https://doi.org/10.1071/CH9921021
%U https://www.publish.csiro.au/paper/CH9921021 
%X The crystal structure of the hepatotoxic amino acid indospicine [L-6-amidino-2-aminohexanoic acid, (S)-2,7-diamino-7-iminoheptanoic acid], as its hydrochloride hydrate, has been determined by X-ray diffraction and refined to a residual R 0.036 for 845 observed reflections collected at 173 K. Crystals are orthorhombic, space group P 22121 with 8 molecules in a cell of dimensions a 5.1541(4), b 14.083(1), c 31.781(3) Å . The structure is consistent with the one previously derived from chemical data but with the presence of a terminal amidinium ion and an &#945;-amino acid zwitterion pair. The two independent molecules in the asymmetric unit are conformationally different and form a head-to-tail packing motif linked by NH(amidino)&#8230;O(carboxyl) hydrogenbonds (N&#8230;O,2.80, 2.85 Å ). The structure also features extensive hydrogen bonding involving the water of solvation. 
