(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol refined using a multipolar atom model

Krzysztof Ejsmont; Jean Pierre Joly; Emmanuel Wenger; Christian Jelsch

doi:10.1107/S0108270107043296

(2S,3S)-2-(N,N-dibenzylamino)butane-1,3-diol refined using a multipolar atom model

Acta Crystallogr C. 2008 Jan;64(Pt 1):o18-20. doi: 10.1107/S0108270107043296. Epub 2007 Dec 14.

Authors

Krzysztof Ejsmont¹, Jean Pierre Joly, Emmanuel Wenger, Christian Jelsch

Affiliation

¹ Institute of Chemistry, University of Opole, Oleska 48, 45-052 Opole, Poland.

PMID: 18216451
DOI: 10.1107/S0108270107043296

Abstract

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Benzylamines / chemistry*
Butylene Glycols / chemistry*
Crystallography, X-Ray
Models, Molecular*
Molecular Structure

Substances

2-(N,N-dibenzylamino)butane-1,3-diol
Benzylamines
Butylene Glycols