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X-ray powder diffraction data for ertapenem side chain, C20H19N3O7S

Published online by Cambridge University Press:  18 May 2017

Xiang Lin ,
Wei Ling Zhuo ,
Qiao Hong Du ,
Xi Lin Peng  and
Hui Li
Xiang Lin
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Wei Ling Zhuo
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Qiao Hong Du
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
Xi Lin Peng
Affiliation:
Sinopharm Chuankang Pharmaceutical Co., Ltd., Chengdu 611731, China
Hui Li*
Affiliation:
College of Chemical Engineering, Sichuan University, Chengdu 610065, China
*
a)Author to whom correspondence should be addressed. Electronic mail: lihuilab@sina.com
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for ertapenem side chain, C20H19N3O7S, are reported [a = 4.907(6) Å, b = 18.686(3) Å, c = 22.071(1) Å, α = γ = 90°, β = 90.759(5)°, unit-cell volume V = 2023.82 Å3, Z = 4, ρcal = 1.462 g cm−3, and space group P21/c]. All measured lines were indexed and are consistent with the P21/c space group. No detectable impurity was observed.

Keywords

X-ray powder diffractionertapenem side chainintermediate
Type
Data Reports
Information
Powder Diffraction , Volume 32 , Issue 3 , September 2017 , pp. 203 - 205
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Copyright
Copyright © International Centre for Diffraction Data 2017 

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References

Neumann, M. A. (2003). “X-cell: a novel indexing algorithm for routine tasks and difficult cases,” J. Appl. Crystallogr. 36, 356–365.CrossRefGoogle Scholar
Pawley, G. S. (1981). “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14(6), 357–361.CrossRefGoogle Scholar
Shah, P. M. and Isaacs, R. D. (2003). “Ertapenem, the first of a new group of carbapenems,” J. Antimicrob. Chemother. 52(4), 538–542.CrossRefGoogle ScholarPubMed
Sheng, L. (2014). “New ertapenem intermediate, prepared by subjecting carbapenem derivative and ertapenem side chain to condensation reaction to obtain mixture, reacting with acid, and adding to water,” CN patent 103772389-A; 103772389–B.Google Scholar
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