Thesis-Final 03 June 2011 pdf - Jacobs University

Results and discussion Chapter 3
The bisacetonide was synthesised by following the method which was described by
Sefkow. However, the crystal form of the title product was achieved by using
PE/EtOAc solvent combination. The crystal structure of the compound hasn’t been
reported in the literature yet. The crystal structure of the title product as is shown in
Figure 56.
Table 9: Crystal data and structure refinement for bisacetonide
Identification code
Bisacetonide
Empirical formula C 13 H 20 O 6
Formula weight 272.29
Temperature
Wavelength
Crystal system
Space group
173(2) K
0.71073 Å
Orthorhombic
P2(1)2(1)2(1)
Unit cell dimensions a = 6.0487(2) Å α= 90°
b = 13.5921(6) Å β= 90°
c = 16.4328(8) Å γ = 90°
Volume 1351.02(10) Å 3
Z 4
Density (calculated) 1.339 Mg/m 3
Absorption coefficient 0.106 mm -1
F(000) 584
Crystal size 0.47 x 0.29 x 0.08 mm 3
Theta range for data collection 3.59 to 27.55°.
Index ranges -7