Small molecule crystallography
 
 
RAPID II Application Byte

 

L-thioproline absolute structure

Light atom crystal structures are routinely performed using Mo radiation, especially with CCD systems. While it is possible to determine the absolute configuration of a chiral organic compound that contains a "heavy" light atom, such as sulfur, using Mo radiation, these experiments require exacting measurements.

The ability to readily collect high-angle data using Cu radiation with the RAPID II makes the determination of the absolute configuration for this type of compound routine.

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Formula:

C4H7NO2S

Formula weight:

133.16

Crystal size:

0.10 × 0.10 × 0.10 mm

Space group:

P212121

Unit cell:

a = 9.8949(9) Å
b = 9.8974(7) Å
c = 5.6645(4) Å
V = 554.75(7) Å3
Z = 4

Flack parameter:

0.02(8)

Radiation:

CuKα

Data collection temperature:

296K

Source:

ultraX 18

Detector:

RAPID II