Hydrogen Bond Studies. 39. Reinvestigation of the Crystal Structure of Acetic Acid (at +5 degrees C and -190 degrees C).

High-pressure diffraction studies of molecular organic solids. A personal view

“…As examples, compare the crystal structures of acetic acid formed at low temperatures (Nahringbauer, 1970) and at high pressure (Allan et al, 1999) (Fig. 1).…”

Could acetic acid crystallize as dimers?

“…These dimers have also been observed for most monocarboxylic acids in the crystalline state. But there are a few exceptions: formic and acetic acid form hydrogenbonded chains (Nahringbauer, 1970), and in one of its modifications chloroacetic acid is found to be tetrameric (Kanters & Roelofsen, 1976). These exceptions require an explanation, and we wondered whether a molecular-packing analysis might shed some light on this problem.…”

Neutron powder diffraction analysis of hydrogen-bonded solids. I. Refinement of the structure of deuterated acetic acid at 4.2 and 12.5 K

“…The geometry of the molecule compares well with that obtained by the single-crystal diffraction studies although the bond lengths are less accurate in the powder case. The C-O distances of 1.23 (2) 113.8 (4) 124.2 (6) 122.0 (6) * X-ray study (Nahringbauer, 1970). t Neutron study (J6nsson, 1971).…”

“…(M r = 64.076) In the last column the X-ray data for CH3COOH (Nahringbauer, 1970) Ge (511) Ge ( (21) 0(2) 0.2527 (6) 0-3872 (20) (73) 1.41(61) R != 5-48% Ry = 10-24% R w = 10.20% Rex p = 5"27%…”

“…and 12-5 (+1.) K] as a check of the validity of the method as applied to low-symmetry compounds, and to compare the geometry obtained by NPD with that obtained for CH3COOH by an X-ray singlecrystal determination (Nahringbauer, 1970) and by a neutron single-crystal study at 133 K (J6nsson, 1971).…”