Crystal structure of clofarabine (form I), C10H11ClFN5O3, from synchrotron power diffraction data and density
Jacob K Salazar1, James A Kaduk2,3, Anja Dosen4
1North Central College, Department of Chemistry 131 S Loomis St Naperville IL 60540 USA.
None:
The crystal structure of clofarabine (form I) [systematic name: 2-chloro-9-(2-de-oxy-2-fluoro-β-d-arabino-furanos-yl)-9H-purin-6-amine], C10H11ClFN5O3, has been solved and refined using synchrotron X-ray powder diffraction data, and optimized using density functional theory techniques. The oxolane ring adopts an envelope conformation and the angle between the mean ring planes is 88.4 (2)°, resulting in an l-shaped mol-ecule. The mol-ecules stack along the short a-axis direction, and N-H⋯O, O-H⋯N and N-H⋯N hydrogen bonds link them into a three-dimensional network.
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