Crystal structure of iodanilic acid
Christian Robl, George M. Sheldrick
Abstract
Christian Robl, George M. Sheldrick
Abstract
C 6 I 2 O 4 H 2 , iodanilic acid, M r = 391.89, monoclinic, P 2 1 / c , a = 1477.5(3), b = 493.6(2), c = 1339.5(2) pm, β = 113.53(1)°, V = 895.66 · 10 6 pm 3 , Z = 4, D x = 2.91 g/cm 3 , D m = 2.87 g/cm 3 , Mo Kα , γ = 71.07 pm, μ = 68.95 cm −1 , F (000) = 704, T = 293 K, R = 3.64%, R w = 2.8%, R g = 2.5% for 1601 used unique reflections. The structure was refined by least-squares methods using single crystal X-ray diffractometer data. The molecules of C 6 I 2 O 4 H 2 are interlinked by intermolecular hydrogen bonds to form layers. Intramolecular hydrogen bonding has to be taken into account as well.
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C 6 I 2 O 4 H 2 , iodanilic acid, M r = 391.89, monoclinic, P 2 1 / c , a = 1477.5(3), b = 493.6(2), c = 1339.5(2) pm, β = 113.53(1)°, V = 895.66 · 10 6 pm 3 , Z = 4, D x = 2.91 g/cm 3 , D m = 2.87 g/cm 3 , Mo Kα , γ = 71.07 pm, μ = 68.95 cm −1 , F (000) = 704, T = 293 K, R = 3.64%, R w = 2.8%, R g = 2.5% for 1601 used unique reflections. The structure was refined by least-squares methods using single crystal X-ray diffractometer data. The molecules of C 6 I 2 O 4 H 2 are interlinked by intermolecular hydrogen bonds to form layers. Intramolecular hydrogen bonding has to be taken into account as well.
Key concepts: Monoclinic crystal system, Diffractometer, Hydrogen bond, Intramolecular force, Intermolecular force, Crystallography, Molecule, Crystal structure