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Crystal structure and X-ray powder diffraction data for Lumateperone tosylate

Published online by Cambridge University Press:  27 October 2023

Jiyong Liu ,
Dier Shi ,
Shuna Liu  and
Xiurong Hu Open the ORCID record for Xiurong Hu [Opens in a new window]
Jiyong Liu
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Dier Shi
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Shuna Liu
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
Xiurong Hu*
Affiliation:
Department of Chemistry, Zhejiang University, Hangzhou 310058, PR China
*
a)Author to whom correspondence should be addressed. Electronic mail: huxiurong@zju.edu.cn
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for the Lumateperone tosylate, C24H29FN3O⋅C7H7O3S, are reported [a = 15.5848(10) Å, b = 6.0700(4) Å, c = 31.3201(14) Å, β = 96.544(5)°, V = 2943.58 Å3, Z = 4, and space group C2]. In each case, all measured lines were indexed and were consistent with the corresponding space group. The single-crystal data of Lumateperone tosylate is also reported, respectively [a = 15.626(3) Å, b = 6.0806(10) Å, c = 31.415(5) Å, β = 96.609(7)°, V = 2965.1(8) Å3, Z = 4, and space group C2]. The experimental powder diffraction pattern has been well matched with the simulated pattern derived from the single-crystal data with preferred orientation in the [002] direction (orientation coefficient = 0.75).

Keywords

X-ray powder diffraction dataLumateperone tosylatesolid-state formpreferred orientation
Type
New Diffraction Data
Information
Powder Diffraction , First View , pp. 1 - 5
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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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