title: The principles underlying the use of powder diffraction data in solving pharmaceutical crystal structures.
abstract: Solving pharmaceutical crystal structures from powder diffraction data is discussed in terms of the methodologies that have been applied and the complexity of the structures that have been solved. The principles underlying these methodologies are summarized and representative examples of polymorph, solvate, salt and cocrystal structure solutions are provided, together with examples of some particularly challenging structure determinations.
authors.affiliation: School of Pharmacy, Univerity of Reading, Whiteknights Campus, Reading, Berkshire RG6 6AD, England.
authors.forename: Kenneth
authors.initials: K
authors.lastname: Shankland
authors.forename: Mark J
authors.initials: MJ
authors.lastname: Spillman
authors.forename: Elena A
authors.initials: EA
authors.lastname: Kabova
authors.forename: David S
authors.initials: DS
authors.lastname: Edgeley
authors.forename: Norman
authors.initials: N
authors.lastname: Shankland
mesh_terms: D002626:Chemistry, Pharmaceutical; D018360:Crystallography, X-Ray; D008958:Models, Molecular; D033362:Powder Diffraction; D012996:Solutions / Q000737:chemistry; D012997:Solvents / Q000737:chemistry
chemical_list: D012996:Solutions; D012997:Solvents
keywords: crystal structure; pharmaceuticals; powder diffraction