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Crystal structure and X-ray powder diffraction data for ruxolitinib

Published online by Cambridge University Press:  23 January 2023

Chunguang Dai ,
Yuanjiang Pan  and
Xiurong Hu Open the ORCID record for Xiurong Hu [Opens in a new window]
Chunguang Dai
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China Zhejiang Ausun Pharmaceutical Co., Ltd, Taizhou 307016, PR China
Yuanjiang Pan
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China
Xiurong Hu*
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310027, PR China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for ruxolitinib are reported [a = 8.7211(5) Å, b = 19.6157(15) Å, c = 18.9645(10) Å, β = 90.903(6)°, unit-cell volume V = 3243.85 Å3, Z = 8, and space group P21]. All measured lines were indexed and are consistent with the corresponding space group. No detectable impurities were observed. The single-crystal data of ruxolitinib are also reported [space group P21, a = 8.7110(2) Å, b = 19.5857(4) Å, c = 18.9372(4) Å, β = 90.8570(10)°, unit-cell volume V = 3230.53(10) Å3, Z = 8]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data.

Keywords

X-ray powder diffraction dataruxolitinibcrystal structure
Type
New Diffraction Data
Information
Powder Diffraction , Volume 38 , Issue 1 , March 2023 , pp. 69 - 73
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Copyright
Copyright © The Author(s), 2023. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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