2-(3-{(3R,4R)-4-Methyl-3-[meth-yl(7H-pyrrolo-[2,3-d]pyrimidin-4-yl)amino]-piperidin-1-yl}oxetan-3-yl)aceto-nitrile monohydrate.

Abstract

The crystal structure of C18H24N6O monohydrate was determined. The piperidine ring adopts a chair conformation, with an N-C-C-C torsion angle of 39.5° between the cis-oriented substituents. A water-mediated intermolecular hydrogen bond is formed between the pyrrole N-H group and a nitrogen atom of the fused pyrimidine ring. Each water molecule bridges two organic molecules and is disordered across two sites with occupancies of 0.48 and 0.52. Crystal packing analysis reveals zigzag chains composed of alternating organic and water molecules extending parallel to the a axis.