Experimental Data

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

Chemical Name

alpha-(4,5,6,7-tetrahydrothieno[3,2-c]pyrid-5-yl)(2-chlorophenyl)methyl acetate "hydrogen sulphate"

Chemical Formula

C16H17Cl N O2S · HSO4

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/20mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.7mm sample capillary
• Uncrushed, unsieved sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 18/02/03
• File: ST0806.RAW
• ×2 ranges from 1 to 30° 2θ
• PSD step: 0.1°
• Count Time: 80 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 12.624(1)	b 15.308(1)	c 10.432(1)
	Unit Cell Angles (°):		α 90	β 113.283(2)	γ 90
	Unit Cell Volume (Ų):		1852

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

Reference

European Patent EP0281459B1