Received 17 March 2012
In the title compound, C38H31Cl4N3O·C3H6O, the 3,7-diaza-bicycle exists in a chair-boat conformation. The 4-chlorophenyl groups attached to the chair form are equatorially oriented at an angle of 18.15 (3)° with respect to each other, whereas the 4-chlorophenyl groups attached to the boat form are oriented at an angle of 32.64 (3)°. In the crystal, molecules are linked by N-H and C-HO interactions.
For the synthesis and stereochemistry of 3,7-diazabicyclo[3.3.1]nonan-9-one derivatives, see: Parthiban et al. (2008). For the biological activity of 3,7-diazabicyclo[3.3.1]nonan-9-one derivatives and related structures, see: Parthiban et al. (2009, 2010); Asakawa (1995); Jayaraman & Avila (1981). For ring puckering parameters, see: Cremer & Pople (1975); Nardelli (1983); Luger & Bülow (1983).
Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2004); data reduction: SAINT-Plus; program(s) used to solve structure: SIR92 (Altomare et al., 1993); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB6689 ).
This research was supported by the National Research Foundation (NRF) of Korea.
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