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-ribito l, a member of the 'immucillin' family

作者：Gainsford Graeme J^*; Furneaux Richard H; Tyler Peter C; Sauve Anthony; Shramm Vern L

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2010, 66: M65-M68.

DOI：10.1107/S0108270110002738

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], {[ Na2( C12H13N4O6) (2)(H(2)O)(7)]center dot 4H(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 center dot center dot center dot 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 similar to 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.

• 出版日期2010-3