Supramolecular Structure of 5-Hydroxyisophthalic Acid-Acetone 1:1 Solvate

A 1:1 5-hydroxyisophthalic acid (HIPA)-acetone solvate, C8H6O5·C3H6O, was crystallized in the triclinic space group P1 with a = 6.9655(7)Å, b = 11.2080(11)Å, c = 15.6562(16)Å, α = 83.613(3)°, β = 85.272(3)°, γ = 76.055(2)°, V = 1176.9(2)Å3 and Z = 4. The X-ray crystal structure analysis (R1 = 0.0478...

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Veröffentlicht in:X-ray Structure Analysis Online 2012, Vol.28, pp.41-42
Hauptverfasser: SAKON, Aya, SEKINE, Akiko, UEKUSA, Hidehiro
Format: Artikel
Sprache:eng
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Zusammenfassung:A 1:1 5-hydroxyisophthalic acid (HIPA)-acetone solvate, C8H6O5·C3H6O, was crystallized in the triclinic space group P1 with a = 6.9655(7)Å, b = 11.2080(11)Å, c = 15.6562(16)Å, α = 83.613(3)°, β = 85.272(3)°, γ = 76.055(2)°, V = 1176.9(2)Å3 and Z = 4. The X-ray crystal structure analysis (R1 = 0.0478) revealed that the HIPA molecules formed a one-dimensional hydrogen bonded chain structure via a carboxylic acid dimer motif, along the 1 0 -1 direction. In the (1 0 1) plane, cavity spaces were formed between the chains, where acetone molecules were included.
ISSN:1883-3578
1883-3578
DOI:10.2116/xraystruct.28.41