Abstract
The crystal structure of guanidinium 8-hydroxy-7-iodoquinoline-5-sulfonate monohydrate, [(CH6N3+)2(C9H4INO4S2−)·H2O], shows a three-dimensional hydrogen-bonded polymer structure, in which the two guanidinium cations and the water molecule are involved in extensive hydrogen bonding, linking together rows of the dianions. The dianions result from deprotonation of both the sulfonic acid and the phenolic hydroxy groups of the substituted quinoline molecule.
Highlights
Extension of basic hydrogenbonding rules (Etter, 1990) suggested that sulfonate salts of guanidine should assemble into ordered two-dimensional networks, because of equal numbers of donor and acceptor sites on both species, together with their threefold symmetry. Both alkyl and aryl guanidinium sulfonates have been investigated in this respect with the aim of creating materials with useful non-linear optical properties (Russell et al, 1994a,b)
Re®nement on F 2 R[F 2 > 2'(F 2)] = 0.034 wR(F 2) = 0.095 S = 1.02 4057 reections 275 parameters H atoms treated by a mixture of independent and constrained re®nement
Signi®cant crystal decay during data collection (18.9%) was allowed for, using a linear correction
Summary
Extension of basic hydrogenbonding rules (Etter, 1990) suggested that sulfonate salts of guanidine should assemble into ordered two-dimensional networks, because of equal numbers of donor and acceptor sites on both species, together with their threefold symmetry. Both alkyl and aryl guanidinium sulfonates have been investigated in this respect with the aim of creating materials with useful non-linear optical properties (Russell et al, 1994a,b). The synthesis of the title compound was carried out by heating, under reux for 10 min, a solution containing 1 mmol of 8-hydroxy-7-iodoquinoline-5-sulfonic acid (Ferron) and 1 mmol of guanidine carbonate in 50 ml of 50% ethanol/water. Infrared (KBr): 3624, 3358, 3189, 1670, 1571, 1531, 1485, 1440, 1396, 1344, 1219, 1198, 1168, 1100, 1039, 839, 716, 677, 607, 543, 512, 471 cmÀ1
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