Experimental Data

Click image to access powder diffraction data (.spf format)

Chemical Name

2-[[[3-methyl-4-(2,2,2-trifluroethoxy)-2-pyridyl]methyl]sulphinyl] benzimidazole

Chemical Formula

C16H14F3N3O2S

R form shown

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/30mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.5mm sample capillary
• 75μm sieved, crushed sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected:
• File: ST0840.RAW
• ×2 ranges from 1 to 35° 2θ (1st range used only)
• Range 2 excluded from analysis
• PSD step: 0.1°
• Count Time: 90 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

• Indexed using ITO12
• Refined lattice parameters by Lebail fit:

	Unit Cell Lengths (Å):		a 15.864(1)	b 7.351(1)	c 14.264(1)
	Unit Cell Angles (°):		α 90	β 102.012(4)	γ 90
	Unit Cell Volume (Ų):		1627

• Z: 4
• System: Monoclinic
• Possible Space Group: P2₁/c

Reference

Patent number (WIPO): WO0244167