Creatine: Polymorphs Predicted and Found.
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ABSTRACT:
SUBMITTER: Braun DE
PROVIDER: S-EPMC4693963 | biostudies-literature | 2014 Oct
REPOSITORIES: biostudies-literature
Publications
Creatine: Polymorphs Predicted and Found.
Braun Doris E DE Orlova Maria M Griesser Ulrich J UJ
Crystal growth & design 20141001 10
Hydrate and anhydrate crystal structure prediction (CSP) of creatine (CTN), a heavily used, badly water soluble, zwitterionic compound, has enabled the finding and characterization of its anhydrate polymorphs, including the thermodynamic room temperature form. Crystal structures of the novel forms were determined by combining laboratory powder X-ray diffraction data and <i>ab initio</i> generated structures. The computational method not only revealed all experimental forms but predicted the corr ...[more]
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