tert-Butyl 4-{[2-amino-4-(2-hydroxyphenyl)pyrimidin-5-yl]methyl}piperazine-1-carboxylate

In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxylate and methylene substituents occupying bisectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61 (9)&...

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Bibliographic Details
Main Authors: Nilesh N. Gajera, Mukesh C. Patel, Mukesh M. Jotani, Edward R. T. Tiekink
Format: Article
Language:English
Published: International Union of Crystallography 2013-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813025774
Description
Summary:In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxylate and methylene substituents occupying bisectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61 (9)°] but an intramolecular O—H...N hydrogen bond persists between these. Supramolecular tapes along [1-10] are formed in the crystal packing through N(amino)—H...O(hydroxyl) and N(amino)—H...N(pyrimidinyl) hydrogen bonds, and these are linked into layers in the ab plane by π–π interactions [inter-centroid distance between pyrimidinyl rings = 3.5919 (9) Å].
ISSN:1600-5368