Acta Crystallographica Section B

Structural Science

Volume 62, Part 1 (February 2006)


research papers



Acta Cryst. (2006). B62, 143-152    [ doi:10.1107/S010876810503418X ]

Polymorphs of p-nitrophenol as studied by variable-temperature X-ray diffraction and calorimetry: comparison with m-nitrophenol

G. Wójcik and I. Mossakowska

Abstract: Crystal structures of two polymorphic forms of p-nitrophenol have been determined at several temperatures between 120 and 375 K. The thermal expansion tensor has been determined for both polymorphs. The rigid-body mean-square amplitudes of molecular translations and librations and the amplitudes of the internal torsions of the nitro group have been calculated at different temperatures. Differential scanning calorimetry was used to find the temperature and enthalpy of the polymorphic transformation. The results were compared with those recently obtained for m-nitrophenol polymorphs. Some conclusions concerning the polymorphism of p- and m-nitrophenols are presented.

Keywords: polymorphism; variable-temperature X-ray diffraction; calorimetry.


fcfdisplay filedownload file

Structure factor file (CIF format) (59.2 kbytes)
[ doi:10.1107/S010876810503418X/ns0011alpha_6sup2.fcf ]
Contains datablock alfa_6


fcfdisplay filedownload file

Structure factor file (CIF format) (50.5 kbytes)
[ doi:10.1107/S010876810503418X/ns0011al120_5sup3.fcf ]
Contains datablock al120_5


fcfdisplay filedownload file

Structure factor file (CIF format) (52.9 kbytes)
[ doi:10.1107/S010876810503418X/ns0011al333_5sup4.fcf ]
Contains datablock al333_5


fcfdisplay filedownload file

Structure factor file (CIF format) (55.2 kbytes)
[ doi:10.1107/S010876810503418X/ns0011betdc6sup5.fcf ]
Contains datablock betdc6


fcfdisplay filedownload file

Structure factor file (CIF format) (49.4 kbytes)
[ doi:10.1107/S010876810503418X/ns0011be120_9sup6.fcf ]
Contains datablock be120_9


fcfdisplay filedownload file

Structure factor file (CIF format) (94.2 kbytes)
[ doi:10.1107/S010876810503418X/ns0011pnif3754sup7.fcf ]
Contains datablock pnif3754


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