X-ray characterization of solid small molecule organic materials
AssigneeThe Trustees of Columbia University in the City of New York
InventorsSimon Billinge, Kenneth Shankland, Norman Shankland, Alastair Florence
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Abstract
The present invention provides, inter alia, methods of characterizing a small molecule organic material, e.g., a drug or a drug product. This method includes subjecting the solid small molecule organic material to x-ray total scattering analysis at a short wavelength, collecting data generated thereby, and mathematically transforming the data to provide a refined set of data.
Claims26
A method of reliably characterizing an amorphous material, the method comprising:
- subjecting the amorphous material to x-ray beams having a wavelength less than or equal to 1.1 angstroms such that x-ray data is scattered from the amorphous material,
- collecting the scattered x-ray data over reciprocal lattice vector of at least 8.5 inverse angstroms,
- deriving an atomic pair distribution function (PDF) from the collected x-ray data, mathematically transforming the derived PDF data to a reduced total scattering structure function, and
- reliably determining structural information of the amorphous material.
A method of reliably characterizing a nanocrystalline molecular solid, the method comprising:
- subjecting a nanocrystalline molecular solid having no more than 3 nm in length to x-ray beams having a wavelength less than or equal to 1.1 angstroms such that x-ray data is scattered from the amorphous material,
- collecting the scattered x-ray data over a reciprocal lattice vector of above 8.5 inverse angstroms,
- deriving an atomic pair distribution function (PDF) from the collected x-ray data, mathematically transforming the derived PDF data to a reduced total scattering structure function, and
- reliably determining structural information of the amorphous material.
Dependencies are inferred from the claim text.