Crystal structure determination of 1-pentanol from low-temperature powder diffraction data by Patterson search methods

In the course of our research on normal alkanols, the crystal structure of 1-pentanol has been solved by applying Patterson-search methods to laboratory powder X-ray diffraction data recorded on a curved position-sensitive detector (CPS120) at 183 K. The crystal structure was refined with the rigid-body Rietveld least-squares method. The cell is monoclinic, space group P21/c, 2 = 4 , and the cell parameters are a=15.592(9) A, b=4.349(1) A, c=9.157(1) A, P=104.7(7)", V=600.6(3) A3. There is one molecule in the asymmetric unit with the 0-H bond in gauche conformation with respect to the alkyl skeleton. Packing is defined by the hydrogen bonds linking the 1-pentanol molecules along zigzag chains parallel to b. O 2005 International Centre for Dzffraction Data. [DOI: 10.1154/1.2135312]