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Tert-Butyl 4-{[2-amino-4-(2-hy-droxy-phen-yl)pyrimidin-5-yl]meth-yl}piperazine-1-carboxyl-ate.

ABSTRACT: In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxyl-ate and methyl-ene substituents occupying bis-ectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61?(9)°] but an intra-molecular O-H?N hydrogen bond persists between these. Supra-molecular tapes along [1-10] are formed in the crystal packing through N(amino)-H?O(hydrox-yl) and N(amino)-H?N(pyrimidin-yl) hydrogen bonds, and these are linked into layers in the ab plane by ?-? inter-actions [inter-centroid distance between pyrimidinyl rings = 3.5919?(9)?Å].

SUBMITTER: Gajera NN 

PROVIDER: S-EPMC3790435 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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tert-Butyl 4-{[2-amino-4-(2-hy-droxy-phen-yl)pyrimidin-5-yl]meth-yl}piperazine-1-carboxyl-ate.

Gajera Nilesh N NN   Patel Mukesh C MC   Jotani Mukesh M MM   Tiekink Edward R T ER  

Acta crystallographica. Section E, Structure reports online 20130921 Pt 10

In the title compound, C20H27N5O3, the central piperazine ring adopts a chair conformation, with the N-bound carboxyl-ate and methyl-ene substituents occupying bis-ectional and equatorial orientations, respectively. A twist is evident between the aromatic rings [dihedral angle = 25.61 (9)°] but an intra-molecular O-H⋯N hydrogen bond persists between these. Supra-molecular tapes along [1-10] are formed in the crystal packing through N(amino)-H⋯O(hydrox-yl) and N(amino)-H⋯N(pyrimidin-yl) hydrogen  ...[more]

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