Open AccessPowder study of 3‐azabicyclo[3.3.1]nonane‐2,4‐dione 1‐methylnaphthalene hemisolvate
Author(s) -
Hulme Ashley T,
Fernandes Philippe,
Johnston Andrea,
Florence Alastair,
Shankland Kenneth
Publication year - 2006
Publication title -
acta crystallographica section e
Language(s) - English
Resource type - Journals
ISSN - 1600-5368
DOI - 10.1107/s1600536806030078
Subject(s) - nonane , rietveld refinement , naphthalene , powder diffraction , chemistry , high resolution , crystal structure , bicyclic molecule , crystallography , stereochemistry , organic chemistry , geology , remote sensing
The crystal structure of the title compound, C 8 H 11 N 1 O 2 ·0.5C 11 H 10 , was solved by simulated annealing from laboratory X‐ray powder diffraction data, collected at room temperature. Subsequent Rietveld refinement, using data collected to 1.51 Å resolution, yielded an R wp value of 0.057. The compound crystallizes with two molecules of 3‐azabicyclononane‐2,4‐dione and one molecule of 1‐methylnaphthalene in the asymmetric unit.