Structure of (R)-tetrahydro-2-furancarboxylic acid monohydrate.

S Bando, T Takano, R Tanaka, H Iwata, M Ishiguro

Index: Acta Crystallogr. C 46 ( Pt 1) , 106-8, (1990)

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Abstract

C5H10O4, Mr = 134.31, monoclinic, P2(1), a = 11.670 (2), b = 6.177 (3), c = 10.704 (2) A, beta = 115.11 (2) degrees, V = 698.7 (4) A3, Z = 4, Dm = 1.26, Dx = 1.28 g cm-3, Cu K alpha, lambda = 1.54178 A, mu = 9.69 cm-1, F(000) = 288, room temperature, R = 0.046 for 1047 reflections with [Fo[ greater than 3 sigma(F). There are two independent molecules of the title compound in the crystal. No twofold symmetry is observed in the tetrahydrofuran rings. Hydrogen bonds between water molecules and carboxylic acid groups stabilize the crystal structure.