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[Untitled]

Authors :
Jin-Zhong You
Shao-Yuan Chen
Yao-Zu Chen
Jing-Jing Nie
Duan-Jun Xu
Source :
Journal of Chemical Crystallography. 31:339-343
Publication Year :
2001
Publisher :
Springer Science and Business Media LLC, 2001.

Abstract

The title compound including a stable nitroxide radical was synthesized by a reaction of N,N′-diisopropylcarbondiimide (DIC) with 2,2,5,5-tetramethyl-1-oxo-3-pyrroline-3-carboxylic acid (TPCO) in an EtOAc solution under nitrogen atmosphere. From 1:1 EtOAc/hexane the compound crystallizes in triclinic space group P $$\overline 1$$ with a = 11.078(2), b = 11.970(2), c = 15.746(3) A, α = 105.41(3), β = 103.47(3), γ = 106.52(3)°, and Z = 4. In an asymmetric unit two molecules assemble with each other in similar bond distances and angles but show crystallographically independent conformation. A normal single C–N bond is observed in the title compound, other than the partial double C=N bond shown in the parent urea. A longer N–O distance of 1.26 A implies the existence of a single electron π bond between N and O atoms, which stabilizes the radical molecule.

Details

ISSN :
10741542
Volume :
31
Database :
OpenAIRE
Journal :
Journal of Chemical Crystallography
Accession number :
edsair.doi...........20e7080d405fd0cc7fe2338383410176
Full Text :
https://doi.org/10.1023/a:1014310208644