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1-(2-Amino-6-methyl-pyrimidin-4-yl)-N,N-dimethyl-piperidin-4-aminium chloride.

ABSTRACT: In the title mol-ecular salt, C12H22N5(+)·Cl(-), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the pyrimidine ring is 14.00 (1)°. In the crystal, the ions are connected by N-H⋯N hydrogen bonds, forming inversion dimers, which are further connected by N-H⋯Cl hydrogen bonds. Aromatic π-π stacking inter-actions [centroid-centroid separation = 3.4790 (9) Å] are also observed in the structure.

SUBMITTER: Sreenivasa S

PROVIDER: S-EPMC3588967 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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1-(2-Amino-6-methyl-pyrimidin-4-yl)-N,N-dimethyl-piperidin-4-aminium chloride.

Sreenivasa S S Manojkumar K E KE Suchetan P A PA Srinivasan T T Palakshamurthy B S BS Velmurgan D D

Acta crystallographica. Section E, Structure reports online 20121117 Pt 12

In the title mol-ecular salt, C12H22N5(+)·Cl(-), the cation is protonated at the dimethyl-substituted tertiary N atom. The piperidine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The dihedral angle between the piperidine ring (all atoms) and the pyrimidine ring is 14.00 (1)°. In the crystal, the ions are connected by N-H⋯N hydrogen bonds, forming inversion dimers, which are further connected by N-H⋯Cl hydrogen bonds. Aromatic π-π stacking inter-actio ...[more]

PMID: 23476203

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