Crystal structure of guanidinium fumarate dihydrate, [CN3H6]2· C4H2O4· 2H2O

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Abstract
The crystal structure of [CN 3 H 6 ] 2 · C 4 H 2 O 4 · 2H 2 O has been determined at room temperature by X-ray diffraction methods. The compound crystallizes in space group P 2 1 / n with a = 7.867(7) Å, b = 8.980(10) Å, c = 9.646(12) Å, β = 93.19(9)°, V = 680.4 Å 3 , D m = 1.321 Mgm −3 , D c = 1.321 Mgm −3 , M r = 270.67, Z = 2, Mo Kα , μ = 0.108 mm −1 , F (000) = 288. The structure has been solved by direct methods and refined by least-squares calculations to a final R -value of 0.042 for 658 unique observed reflections [ I > 3 σ ( I )]. The structure consists of isolated guanidinium and fumaric ions and water molecules linked by hydrogen bonds.

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