Powder study of ( R )‐1‐phenyl­ethyl­ammonium ( R )‐2‐phenyl­butyrate form 3 | Zendy

Fernandes Philippe | Zendy; Florence Alastair J. | Zendy; Shankland Kenneth | Zendy; Karamertzanis Panagiotis G. | Zendy; Hulme Ashley T. | Zendy; Anandamanoharan R. Parathy | Zendy

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Powder study of ( R )‐1‐phenylethylammonium ( R )‐2‐phenylbutyrate form 3

Author(s) -

Fernandes Philippe,

Florence Alastair J.,

Shankland Kenneth,

Karamertzanis Panagiotis G.,

Hulme Ashley T.,

Anandamanoharan R. Parathy

Publication year - 2007

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536806052093

Subject(s) - crystallography , powder diffraction , ion , crystal structure , chemistry , ammonium , rietveld refinement , resolution (logic) , materials science , organic chemistry , artificial intelligence , computer science

The crystal structure of a new polymorph of the title compound, C 8 H 12 N + ·C 10 H 11 O 2 − , was solved by simulated annealing from laboratory X‐ray powder diffraction data, collected at 295 K. Subsequent Rietveld refinement using data collected to 1.54 Å resolution, yielded an R wp of 0.030. The compound crystallizes with one ( R )‐1‐phenylethylammonium cation and one ( R )‐2‐phenylbutyrate anion in the asymmetric unit.

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