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

R A Howie, J M S Skakle

Research output: Contribution to journalArticle

Abstract

Features of the structure of the title compound, C8H11NO2, are the near planar arrangement of the dicarboximide fragment and the C atoms alpha to it and the molecular noncrystallographic C-s mirror symmetry. N-H . . .O hydrogen bonds link the molecules to form zigzag chains propagated in the a direction and sheets parallel to (001) are formed by replication of the chains by cell translation in the b direction. The sheets, related to one another by the operation of crystallographic centres of symmetry, are stacked in the c direction.

Original languageEnglish
Pages (from-to)o822-o824
Number of pages3
JournalActa Crystallographica Section E: Structure Reports Online
Volume57
Issue number9
DOIs
Publication statusPublished - 2001

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nonanes
Dione
Hydrogen bonds
Mirrors
Atoms
Molecules
predictions
symmetry
fragments
mirrors
hydrogen bonds
cells
atoms
3-azabicyclo(3.3.1)nonane-2,4-dione
Direction compound
molecules

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3-Azabicyclo[3.3.1]nonane-2,4-dione: CSP2001 structure prediction test case No. 1. / Howie, R A ; Skakle, J M S .

In: Acta Crystallographica Section E: Structure Reports Online, Vol. 57, No. 9, 2001, p. o822-o824.

Research output: Contribution to journalArticle

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