Crystal structure of triaqua-bis(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)-1-(2-oxo-2,5-dihydrofuran-3-yl)ethane-1-sulfonato-κ² O,O′)calcium(II) – ethanol (1/2), C₄₄H₇₆CaO₁₉S₂

Abstract

C44H76CaO19S2, monoclinic, C2 (no. 5), a = 25.5446(14) Å, b = 7.38025(19) Å, c = 18.8450(10) Å, β = 136.543(10)°, Z = 2, V = 2443.6(4) Å3, Rgt(F) = 0.0419, wRref(F2) = 0.1161, T = 293(2) K.

Crystal structure of {tetraaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)}-{triaqua-bis(1-(4-hydroxy-2-oxotetrahydrofuran-3-yl)-2-((4aS,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydronaphthalen-1-yl)ethane-1-sulfonato-k2 O,O') calcium(II)

“…, , . Criterion for I obs , N(hkl) gt : The organic ligand andrographolide calcium bisulfite consists of two fused cyclohexanes adopting chair conformations and a nearly planar five-membered lactonic ring. Ca-O distances are in the range of those observed in reported Ca(II) complexes [10,11]. The O-S distances coincided with the normal ranges.…”