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4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbo-nitrile.

ABSTRACT: In the title compound, C₁₀H₁₃N₅, the piperidine ring adopts a chair conformation with the exocyclic N-C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)°. A short intra-molecular C-H⋯N contact generates an S(7) ring. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into (100) sheets and a weak aromatic π-π stacking inter-action is observed [centroid-centroid separation = 3.5559 (11) Å] between inversion-related pyrimidine rings.

SUBMITTER: Bhat R

PROVIDER: S-EPMC9462203 | biostudies-literature | 2020 Mar

REPOSITORIES: biostudies-literature

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4-Amino-6-(piperidin-1-yl)pyrimidine-5-carbo-nitrile.

Bhat Radhika R Shraddha K N KN Begum Noor Shahina NS

IUCrData 20200317 Pt 3

In the title compound, C10H13N5, the piperidine ring adopts a chair conformation with the exocyclic N-C bond in an axial orientation, and the dihedral angle between the mean planes of piperidine and pyrimidine rings is 49.57 (11)°. A short intra-molecular C-H⋯N contact generates an S(7) ring. In the crystal, N-H⋯N hydrogen bonds link the mol-ecules into (100) sheets and a weak aromatic π-π stacking inter-action is observed [centroid-centroid separation = 3 ...[more]

PMID: 36339485

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