Validation of a search technique for crystal structure prediction of flexible molecules by application to piracetam

Nowell, H.; Price, S.L.

doi:10.1107/S0108768105018549

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

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Figure 4
Overlays of observed high-pressure form IV piracetam (green) with the expminexp reproduction (blue) showing the contraction of the C(4) chains resulting in poor reproduction in the b direction. The R₂²(14) motif is also shown. H atoms have been omitted for clarity.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 61| Part 5| September 2005| Pages 558-568

doi:10.1107/S0108768105018549

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