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X-ray powder diffraction data for 5-chloro-N-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2H)-pyridinyl)phenyl)-pentanamide, C20H26ClN3O3

Published online by Cambridge University Press:  16 March 2016

Qing Wang
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Dan Guo
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Bin Tang
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Hui Li*
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]

Abstract

Apixaban (Eliquis®) is a novel oral pyrazole-based direct FXa inhibitor. The title compound is an intermediate in the synthesis of the anticoagulant, Apixaban. X-ray powder diffraction data for the title compound, are reported [a = 9.511(5) Å, b = 18.539(2) Å, c = 5.645(3) Å, α = 90°, β = 101.813(1)°, γ = 90°, unit-cell volume V = 974.28 Å3, Z = 2, ρcal = 1.336 g cm−3, and space group P2]. All measured lines were indexed and are consistent with the P2 space group. No detectable impurities were observed.

Type
Data Report
Copyright
Copyright © International Centre for Diffraction Data 2016 

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References

Boultif, A. and Louër, D. (1991). “Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy method,” J. Appl. Crystallogr. 24, 987993.Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern,” J. Appl. Crystallogr. 1, 108113.Google Scholar
Deeks, E. D. (2012). “Apixaban,” Drugs 72(), 12711291.Google Scholar
Pawley, G. S. (1981). “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14(6), 357361.CrossRefGoogle Scholar
Smith, G. S. and Snyder, R. L. (1979). “FN: a criterion for rating powder diffraction patterns and evaluating the reliability of powder indexing,” J. Appl. Crystallogr. 12, 6065.Google Scholar
Watson, J., Whiteside, G. and Perry, C. (2011). “Apixaban,” Drugs 71, 20792089.CrossRefGoogle ScholarPubMed
Wang, Q., Li, Y. P., Li, S. S., Bin, T., and Li, H. (2015). “Powder X-ray diffraction of 1-(4-aminophenyl)-5,6-dihydro-3-(4-morpholinyl)-2(1H)-pyridinone, C15H19N3O2 ,” Powder Diffr. 30(4), 367.CrossRefGoogle Scholar
Ye, F. G. and Wang, T. L. (2015). “Process for preparation of apixaban and intermediates thereof,” CN Pat., 104844593.Google Scholar
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