Hostname: page-component-78c5997874-m6dg7 Total loading time: 0 Render date: 2024-11-05T02:05:19.971Z Has data issue: false hasContentIssue false
  • English
  • Français

X-ray powder diffraction data for Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate, C11H13ClN2O3

Published online by Cambridge University Press:  28 December 2016

Qing Wang ,
Quan Hou ,
Yong Kui Zhang ,
Zi Li Suo  and
Hui Li
Qing Wang
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Quan Hou
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Yong Kui Zhang*
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Zi Li Suo
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]; [email protected]
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]; [email protected]
Get access Rights & Permissions [Opens in a new window]

Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene]acetate, C11H13ClN2O3, are reported [a = 13.308(4) Å, b = 9.908(5) Å, c = 4.753(4) Å, α = 90°, β = 91.510(8)°, γ = 90°, unit-cell volume V = 626.64 Å3, Z = 2, ρcal = 1.361 g cm−3, and space group P21]. All measured lines were indexed and are consistent with the P21 space group. No detectable impurities were observed.

Keywords

pharmaceutical intermediateanticoagulantapixaban
Type
Data Reports
Information
Powder Diffraction , Volume 32 , Issue 1 , March 2017 , pp. 46 - 48
Check for updates
Copyright
Copyright © International Centre for Diffraction Data 2016 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Asiri, A. M., Arshad, M. N., Zayed, M. E. M., Alamrya, K. A., and Shafiq, M. (2012). “Ethyl (Z)-2-chloro-2-[2-(4-methoxyphenyl)hydrazin-1-ylidene] acetate,” Acta Crystallogr. E 68(12), o3274–o3274.Google Scholar
Boultif, A. and Louër, D. (1991). “Indexing of powder diffraction patterns for low-symmetry lattices by the successive dichotomy method,” J. Appl. Crystallogr. 24, 987–993.Google Scholar
Deeks, E. D. (2012). “Apixaban,” Drugs 72(9), 1271–1291.Google Scholar
de Wolff, P. M. (1968). “A simplified criterion for the reliability of a powder pattern,” J. Appl. Crystallogr. 1, 108–113.Google Scholar
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., and Puschmann, H. (2009). “OLEX2: a complete structure solution, refinement and analysis program,” J. Appl. Crystallogr. 42, 339–341.Google Scholar
Jiang, J. and Ji, Y. (2013). “Alternate synthesis of apixaban (BMS-562247), an inhibitor of blood coagulation factor Xa,” Synth. Commun. 43(1), 72–79.Google Scholar
Ji, Y. F., Jiang, J. A., Liu, Q., Yu, Y. K., Wang, C., Liu, A. X., and Wang, Y. (2011). “Process for preparing antithrombotic drug apixaban,” CN Patent No. 101 967 145.Google Scholar
Pawley, G. S. (1981). “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14(6), 357–361.Google 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, 60–65.Google Scholar
Sheldrick, G. M. (2008). “Foundations of crystallography,” Acta Crystallogr. A 64, 112–122.Google Scholar
Watson, J., Whiteside, G., and Perry, C. (2011). “Apixaban,” Drugs 71, 2079–2089.Google Scholar
Supplementary material: File

Wang supplementary material

Wang supplementary material 1

Download Wang supplementary material(File)
File 86.1 KB