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

In the title compound, C(18)H(24)N(6)O·H(2)O, the piperidine ring adopts a chair conformation with an N—C—C—C torsion angle of 39.5 (5)° between the cis-related substituents. The pyrrole N—H group forms a water-mediated inter­molecular hydrogen bond to one of the N atoms of the annelated pyrimidine...

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Detalles Bibliográficos
Autores principales: Gehringer, Matthias, Pfaffenrot, Ellen, Keck, Peter R. W. E. F., Schollmeyer, Dieter, Laufer, Stefan A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998552/
https://www.ncbi.nlm.nih.gov/pubmed/24826108
http://dx.doi.org/10.1107/S1600536814004449
Descripción
Sumario:In the title compound, C(18)H(24)N(6)O·H(2)O, the piperidine ring adopts a chair conformation with an N—C—C—C torsion angle of 39.5 (5)° between the cis-related substituents. The pyrrole N—H group forms a water-mediated inter­molecular hydrogen bond to one of the N atoms of the annelated pyrimidine ring. The water mol­ecule connects two organic mol­ecules and is disorderd over two positions (occupancies of 0.48 and 0.52). The crystal packing shows zigzag chains of alternating organic and water mol­ecules running parallel to the a axis.