Synchrotron and neutron diffraction study of 4-methylpyridine-N-oxide at low temperature

Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Van Beek, W.; Rodriguez-Carvajal, J.; Fillaux, F.

doi:10.1107/S0108768106011608

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
(a) Isodensity contours (Fourier method) in the rotational plane (001) of the deuterated methyl group at 250, 100 and 10 K. Superscripts (s) and (r) refer to standard and rigid-body group refinements, respectively. Symmetry elements are shown for 250 K^(s) (mirrors) and 100 K^(s) (twofold axis). (b) Schematic views of the molecules and displacement ellipsoids at 250 K (illustrating the modelling of the orientational disordering of the deuterated methyl group), and at 10 K (shown is molecule M8).

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 62| Part 4| July 2006| Pages 627-633

doi:10.1107/S0108768106011608

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