Crystal structure of bis(5-ammonioisophthalic acid) sulfate dihydrate, (C8H8NO4)2[SO4] · 2H2O

G.-X. Wang, Q.-W. Zhang
2006 Zeitschrift für Kristallographie - New Crystal Structures  
C16H20N2O14S, orthorhombic, Prima (no. 62), a = 22.9226(6) k,b = 27.2080(8) Ä, c = 6.5550(1) Ä, V = 4088.2 A 3 , Ζ = 8, R#(F) = 0.083, wR^F 2 ) = 0.177, Τ = 296 Κ. Source of material 5-aminoisophthalic acid (90 mg, 0.5 mmol) was dissolved in water (10 mL) at room temperature under stirring (ca. 10 min). Then, 0.25 mL 1 Μ H2SO4 was added dropwise. Yellow crystals were afforded after two weeks of slow evaporation of the solvent. Elemental analysis -found: C, 38.81 %; N, 5.55 %; H, 3.99 %; calc.
more » ... H, 3.99 %; calc. for C16H20N2O14S : C, 38.71 %; N, 5.64 %; H, 4.06 %. Experimental details The most Η atoms were added geometrically, the Η atoms of the ammonio groups were refined freely in order to confirm the protonation. The water Η atom positions were refined using bond restraints. The large R values are due to the poor crystal quality.
doi:10.1524/ncrs.2006.221.14.453 fatcat:yb6jxq33zbejrhygatm4njqaba