Open AccessA synchrotron radiation study of the one‐dimensional complex of sodium with (1 S )‐ N ‐carboxylato‐1‐(9‐deazaadenin‐9‐yl)‐1,4‐dideoxy‐1,4‐imino‐ d ‐ribitol, a member of the 'immucillin' family
Author(s) -
Gainsford Graeme J.,
Furneaux Richard H.,
Tyler Peter C.,
Sauve Anthony,
Shramm Vern L.
Publication year - 2010
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270110002738
Subject(s) - crystallography , chemistry , hydrate , ring (chemistry) , crystallization , hydrogen bond , salt (chemistry) , sodium salt , stereochemistry , molecule , inorganic chemistry , organic chemistry
The sodium salt of [immucillin‐A–CO 2 H] − (Imm‐A), namely catena ‐poly[[[triaquadisodium(I)](μ‐aqua)[μ‐(1 S )‐ N ‐carboxylato‐1‐(9‐deazaadenin‐9‐yl)‐1,4‐dideoxy‐1,4‐imino‐ d ‐ribitol][triaquadisodium(I)][μ‐(1 S )‐ 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 ]·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...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 ∼2.4 × 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.