Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction data

Chernyshev, V.V.; Shkavrov, S.V.; Paseshnichenko, K.A.; Puryaeva, T.P.; Velikodny, Y.A.

Авторы: Chernyshev Vladimir V., Shkavrov Sergey V., Paseshnichenko Ksenia A., Puryaeva Tamara P., Velikodny Yurii A.
Журнал: Acta Crystallographica Section C: Crystal Structure Communications
Том: 69
Год издания: 2013
Издательство: Blackwell Publishing Inc.
Местоположение издательства: United Kingdom
Первая страница: 263
Последняя страница: U165
DOI: 10.1107/S0108270113003089
Аннотация: The crystal structures of the monoclinic and triclinic polymorphs of zoledronic acid, C5H10N2O7P2, have been established from laboratory powder X-ray diffraction data. The molecules in both polymorphs are described as zwitterions, namely 1-(2-hydroxy-2-phosphonato-2-phosphonoethyl)-1H-imidazol-3-ium. Strong intermolecular hydrogen bonds (with donor-acceptor distances of 2.60 angstrom or less) link the molecules into layers, parallel to the (100) plane in the monoclinic polymorph and to the (110) plane in the triclinic polymorph. The phosphonic acid groups form the inner side of each layer, while the imidazolium groups lie to the outside of the layer, protruding in opposite directions. In both polymorphs, layers related by translation along [100] interact through weak hydrogen bonds (with donor-acceptor distances greater than 2.70 angstrom ), forming three-dimensional layered structures. In the monoclinic polymorph, there are hydrogen-bonded centrosymmetric dimers linked by four strong O-H center dot center dot center dot O hydrogen bonds, which are not present in the triclinic polymorph.
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Zoledronic acid: monoclinic and triclinic polymorphs from powder diffraction dataстатья

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