T. Lis, L. Jerzykiewicz
Jan 15, 1996
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Journal
Acta Crystallographica Section C-crystal Structure Communications
Abstract
The structure of the D-3-phosphoglycerate dianion in the disodium salt 2Na + .C 3 H 5 O 7 P 2- [Na 2 H(3-PGA), (I)] and the hydrated bis(cyclohexylammonium) salt 2C 6 H 14 N + .C 3 H 5 O 7 P 2- .2H 2 O [(CHA) 2 H(3-PGA).2H 2 O, (II), where H(3-PGA) = - HO 3 POCH 2 CH(OH)COO - , CHA = C 6 H 11 NH 3 + ] has been determined by X-ray analyses at 80 and 85 K, respectively. A room-temperature study of (I) was previously described by Fewster & Fenn [Acta Cryst. (1982), B38, 282-284]. The dianions in (I) and (II) differ in the orientations of the carboxylate and phosphate groups with respect to the carbon backbone. The P-O ester bond lengths are 1.606(2) and 1.608(2)A in (I) and (II), respectively. The crystal structure of (I) is governed by Na...O interactions. The two crystallographically independent Na + cations are seven- and six-coordinate, respectively, with Na...O distances in the range 2.275 (2)-2.822 (2)A. The crystal structure of (II) is stabilized by hydrogen bonds which utilize all N and O atoms.