(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol refined using a multipolar atom model.
The crystal structure of the title compound, C18H23NO2, was determined using the experimental library multipolar atom model. The refinement showed a significant improvement of crystallographic statistical indices when compared with a conventional spherical neutral atom refinement.
Ejsmont
Krzysztof
K
Institute of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.
Joly
Jean Pierre
JP
Wenger
Emmanuel
E
Jelsch
Christian
C
D001596:Benzylamines / Q000737:chemistry*; D002072:Butylene Glycols / Q000737:chemistry*; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure
C527975:2-(N,N-dibenzylamino)butane-1,3-diol; D001596:Benzylamines; D002072:Butylene Glycols