Issue 24, 2022

SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery

Abstract

We report a method for routine crystal structure determination on very small (typically 0.1 mg or less) amounts of crystalline material using powder X-ray diffraction data from a laboratory-based single-crystal diffractometer. The solved structures span a wide range of molecular and crystallographic complexity.

Graphical abstract: SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery

Supplementary files

Article information

Article type
Communication
Submitted
18 3 2022
Accepted
22 5 2022
First published
24 5 2022
This article is Open Access
Creative Commons BY license

CrystEngComm, 2022,24, 4337-4340

SDPD-SX: combining a single crystal X-ray diffraction setup with advanced powder data structure determination for use in early stage drug discovery

E. A. Kabova, C. D. Blundell, C. A. Muryn, G. F. S. Whitehead, I. J. Vitorica-Yrezabal, M. J. Ross and K. Shankland, CrystEngComm, 2022, 24, 4337 DOI: 10.1039/D2CE00387B

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