3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1

Citation
Ra. Howie et Jms. Skakle, 3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1, ACT CRYST E, 57, 2001, pp. o822-o824
Citations number
7
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE
ISSN journal
16005368 → ACNP
Volume
57
Year of publication
2001
Part
9
Pages
o822 - o824
Database
ISI
SICI code
1600-5368(200109)57:<o822:3CSPTC>2.0.ZU;2-L
Abstract
Features of the structure of the title compound, C8H11NO2, are the near pla nar arrangement of the dicarboximide fragment and the C atoms alpha to it a nd the molecular noncrystallographic C-s mirror symmetry. N-H . . .O hydrog en bonds link the molecules to form zigzag chains propagated in the a direc tion and sheets parallel to (001) are formed by replication of the chains b y cell translation in the b direction. The sheets, related to one another b y the operation of crystallographic centres of symmetry, are stacked in the c direction.