Work

Crystal structure of rel-(2R,3S)-2-bromomethyl-3-phenyl-3,4-dihydro- 2H-pyrrole 1-oxide, C11H12BrNO

Year: 2006

Type: article

Abstract: tate/methanol), whereby crystallization of the major isomer from dichloromethane furnished the title nitrone in the form of colorless crystals (m.p. 398-401 K). DiscussionThe pyrroline ring system has an envelope conformation, where C2 is situated out-of-plane.Both ring systems of the molecule have a nearly perfect perpendicular orientation of 88.9( 2)° (figure, top).The double bond N1=C4 is clearly characterized by a distance of 1.287(3) Ä.The Ν-Ο distance of the neighboring TVoxide function is 1.293(5) Ä.In the view of the cell plot we observe alternate polar and non-polar channels along the c axis.The non-polar channels are built up by the phenyl moieties and the polar ones by the bromomethyl-nitrone fragments.There are also polar layers in the a,c plane along the b axis established by theNoxide functions (figure, bottom).Table 1.Data collection and handling.

Source: Zeitschrift für Kristallographie - New Crystal Structures

DOI: 10.1524/ncrs.2006.221.14.217

Authors: W. Frey, Μ. Gulla, V. Jäger

Institution: University of Stuttgart

Language: German

Topic: Crystal structures of chemical compounds

Subfield: Inorganic Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $848

Funder: Bayer