X-Ray Crystallographic Study of Novel Oxazole Derivatives

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Chapter 4.1.1: Data Collection:
A colorless prism crystal of C13H11NO3 having approximate dimensions of 0.560 × 0.480 × 0.300 mm was mounted on a glass fiber.
All measurements were made on a Rigaku SCX mini diffractometer using graphite monochromated Mo-K radiation.
The crystal-to-detector distance was 52.00 mm. Cell constants and an orientation matrix for data collection corresponded to a primitive orthorhombic cell with dimensions: a = 17.421(4) Å, b = 18.581(4) Å, c = 6.882(2) Å, V = 2227.6(8) Å3.
For Z = 8 and F.W. = 229.23, the calculated density is 1.367 g/cm3. Based on the reflection conditions of:0kl: k+l = 2n and h0l: h = 2n.
Packing considerations, a statistical analysis of intensity distribution, and the successful solution and refinement of the structure, the space group was determined to be:Pna21 (33).
The data were collected at a temperature of 20 + 1 °C to a maximum 2th value of 55.0°.
A total of 540 oscillation images were collected. A sweep of data was done using oscillations from -120.0 to 60.0° in 1.0° steps.
The exposure rate was 10.0 [sec./°]. The detector swing angle was -30.80°.
A second sweep was performed using oscillations from -120.0 to 60.0° in 1.0° steps.
The exposure rate was 10.0 [sec./°].
The detector swing angle was -30.80°.
Another sweep was performed using oscillations from -120.0 to 60.0° in 1.0° steps.
The detector swing angle was -30.80°.
The crystal-to-detector distance was 52.00 mm.
Readout was performed in the 0.146 mm pixel mode.

The author is a science student and currently working as an assistant professor at the Gujarat Arts & Science College, Ahmedabad.