Experimental Data

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

Chemical Name

4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Chemical Formula

C29H31N7O

Preparation and Instrumentation Parameters

• Stoe StadiP transmission (capillary) Powder Diffractometer
• Cu Kα1 X-ray radiation
• Pre-sample germanium monochromator
• 40kV/25mA generator power
• Linear Position Sensitive Detector 6° 2θ range
• Rotating 0.5mm sample capillary
• uncrushed unsieved sample
• NBS Silicon (111 reflection) calibration
• Data aquisition details:
• Date collected: 27/11/09
• File: ST3996.RAW
• ×2 ranges from 2 to 35° 2θ and summed
• PSD step: 0.2°
• Count Time: 150 seconds per step
• Binning: 4 channels per point
• Data Step: 0.02°

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

	Unit Cell Lengths (Å):		a 9.881(1)	b 18.105(1)	c 9.488(1)
	Unit Cell Angles (°):		α 89.412(1)	β 117.382(1)	γ 99.064(1)
	Unit Cell Volume (Ų):		1485

• Z: 2
• System: Triclinic
• Possible Space Group: P-1

Reference

Patent Applcation: WO09903854A1

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