Acta Cryst. (2008). B64, 476-482 [ doi:10.1107/S0108768108012779 ]
Abstract: 3-Aminopropan-1-ol, NH2(CH2)3OH, was pressure-frozen and its structure determined at 0.2, 0.9 and 1.31 GPa by single-crystal X-ray diffraction. The freezing pressure of 0.13 GPa at 296 K was measured by ruby fluorescence in the diamond-anvil cell and from compressibility measurement in the piston-and-cylinder reaction press. The molecules assume an extended conformation in the crystalline state, different from the pseudo-ring conformers, with the terminal groups linked by an intramolecular hydrogen bond, present in the gaseous and liquid states. The polar arrangement in the 3-aminopropan-1-ol crystals is explained in terms of the pattern of intermolecular hydrogen bonds.
Keywords: high pressure; pressure-freezing; conformation; hydrogen bonding; polymorphism.
 |   Structure factor file (CIF format) (13.4 kbytes) |
| Structure factor file (CIF format) (16.5 kbytes) |
| Structure factor file (CIF format) (11.9 kbytes) |
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