A synchrotron radiation study of the one-dimensional complex of sodium with (1S)-N-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol, a member of the 'immucillin' family.

The sodium salt of [immucillin-A-CO(2)H](-) (Imm-A), namely catena-poly[[[triaquadisodium(I)](mu-aqua)[mu-(1S)-N-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol][triaquadisodium(I)][mu-(1S)-N-carboxylato-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-D-ribitol]] tetrahydrate], {[Na(2)(C(12)H(13)N(4)O(6))(2)(H(2)O)(7)] x 4 H(2)O}(n), (I), forms a polymeric chain via Na(+)-O interactions involving the carboxylate and keto O atoms of two independent Imm-A molecules. Extensive N,O-H...O hydrogen bonding utilizing all water H atoms, including four waters of crystallization, provides crystal packing. The structural definition of this novel compound was made possible through the use of synchrotron radiation utilizing a minute fragment (volume approximately 2.4 x 10(-5) mm(-3)) on a beamline optimized for protein data collection. A summary of intra-ring conformations for immucillin structures indicates considerable flexibility while retaining similar intra-ring orientations.