The crystal and molecular structure of iminodiacetic acid hydrofluoride monohydrate, C₄H₇NO₄.HF.H₂O, at –100°C

Abstract

The crystal and molecular structure of iminodiacetic acid hydrofluoride monohydrate, C4H7NO4.HF.HzO, has been determined from X-ray intensities collected at -100°C with a fourcircle single-crystal diffractometer. The space group is P21/c with Z= 4, and the unit-cell dimensions are a= 11-8784 (29), b= 6-4045 (9), c-10-0568 (22)/~, fl= 110"65 (2) °. The structure has been refined to R = 0.038. Positively charged iminodiacetic acid ions are connected by hydrogen bonds, via the fluoride ions and the water molecules, forming layers that are stacked in the c direction. The forces between the layers are of van der Waals type.

The crystal structures of calcium malonate dihydrate and strontium malonate

“…The dimensions of the water molecule H(2)--O(3)--H(2 ~) agree well with those found in other hydrates (Oskarsson, 1974;Ferarris & Franchini-Angela, 1972), while the dimensions of the other water molecule are rather poorly determined (Table 5). This can partly be ascribed to the disordered arrangement of H (4).…”