Acta Crystallographica Section B

Structural Science

Volume 60, Part 5 (October 2004)


research papers



Acta Cryst. (2004). B60, 589-597    [ doi:10.1107/S0108768104016623 ]

Conformational change of N-benzylideneanilines in crystals

J. Harada, M. Harakawa and K. Ogawa

Abstract: The crystal structures of N-(4-nitrobenzylidene)aniline (1), N-(4-chlorobenzylidene)-4-methylaniline (2) and N-(4-methylbenzylidene)-4-methylaniline (3) were determined by X-ray diffraction analyses at various temperatures. A dynamic disorder was observed in the crystal structures of all compounds. The dynamic disorder is accounted for in terms of a conformational change involving a pedal motion in the crystals.

Keywords: conformational change; dynamic disorder; pedal motion.


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Structure factor file (CIF format) (332.7 kbytes)
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Structure factor file (CIF format) (326.0 kbytes)
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Structure factor file (CIF format) (319.6 kbytes)
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Structure factor file (CIF format) (88.5 kbytes)
Contains datablock 2_rt


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Structure factor file (CIF format) (85.8 kbytes)
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Structure factor file (CIF format) (83.9 kbytes)
Contains datablock 2_90K


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Structure factor file (CIF format) (84.9 kbytes)
Contains datablock 3_300K


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Structure factor file (CIF format) (84.4 kbytes)
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Structure factor file (CIF format) (83.6 kbytes)
Contains datablock 3_200K


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Structure factor file (CIF format) (82.6 kbytes)
Contains datablock 3_150K


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Structure factor file (CIF format) (81.7 kbytes)
Contains datablock 3_90K


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Structure factor file (CIF format) (82.0 kbytes)
Contains datablock 3_90K2


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Structure factor file (CIF format) (82.0 kbytes)
Contains datablock 3_90K3


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Structure factor file (CIF format) (81.6 kbytes)
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Structure factor file (CIF format) (85.1 kbytes)
Contains datablock 3_300K2


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Structure factor file (CIF format) (85.0 kbytes)
Contains datablock 3_300K3


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