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3-(Piperidin-1-ium-1-yl)-6-azoniaspiro-[5.5]undecane dibromide monohydrate.

Gonzalez J, Atilano-Coral R, Peraza-Campos AL, Ortegón-Reyna D, Alvarez E - Acta Crystallogr Sect E Struct Rep Online (2011)

Bottom Line: The dication is built up from three linked piperidine rings, two of which have one quaternary N atom in common (azoniaspiro), whereas the third is N-C bonded to the azoniaspiro system and protonated on the N atom (piperidinium).All three piperidine rings adopt chair conformations.The crystal structure features O-H⋯Br and N-H⋯Br hydrogen bonds.

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ABSTRACT
The title compound, C(15)H(30)N(2) (2+)·2Br(-)·H(2)O, was synthesized by reaction of 4-piperidino-piperidine with dibromo-pentane. The dication is built up from three linked piperidine rings, two of which have one quaternary N atom in common (azoniaspiro), whereas the third is N-C bonded to the azoniaspiro system and protonated on the N atom (piperidinium). All three piperidine rings adopt chair conformations. The crystal structure features O-H⋯Br and N-H⋯Br hydrogen bonds.

No MeSH data available.


ORTEP drawing of the asymmetric unit of the title compound, (C15H30N2)+2.2(Br-1).H2O, with atom labeling and numbering. Atoms are represented by 50% probability thermal ellipsoids except for H atoms, which are shown as small spheres. The dotted line is a hydrogen bond. C-bonded hydrogen atoms have been omitted for clarity.
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Fap1: ORTEP drawing of the asymmetric unit of the title compound, (C15H30N2)+2.2(Br-1).H2O, with atom labeling and numbering. Atoms are represented by 50% probability thermal ellipsoids except for H atoms, which are shown as small spheres. The dotted line is a hydrogen bond. C-bonded hydrogen atoms have been omitted for clarity.


3-(Piperidin-1-ium-1-yl)-6-azoniaspiro-[5.5]undecane dibromide monohydrate.

Gonzalez J, Atilano-Coral R, Peraza-Campos AL, Ortegón-Reyna D, Alvarez E - Acta Crystallogr Sect E Struct Rep Online (2011)

ORTEP drawing of the asymmetric unit of the title compound, (C15H30N2)+2.2(Br-1).H2O, with atom labeling and numbering. Atoms are represented by 50% probability thermal ellipsoids except for H atoms, which are shown as small spheres. The dotted line is a hydrogen bond. C-bonded hydrogen atoms have been omitted for clarity.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3120340&req=5

Fap1: ORTEP drawing of the asymmetric unit of the title compound, (C15H30N2)+2.2(Br-1).H2O, with atom labeling and numbering. Atoms are represented by 50% probability thermal ellipsoids except for H atoms, which are shown as small spheres. The dotted line is a hydrogen bond. C-bonded hydrogen atoms have been omitted for clarity.
Bottom Line: The dication is built up from three linked piperidine rings, two of which have one quaternary N atom in common (azoniaspiro), whereas the third is N-C bonded to the azoniaspiro system and protonated on the N atom (piperidinium).All three piperidine rings adopt chair conformations.The crystal structure features O-H⋯Br and N-H⋯Br hydrogen bonds.

View Article: PubMed Central - HTML - PubMed

ABSTRACT
The title compound, C(15)H(30)N(2) (2+)·2Br(-)·H(2)O, was synthesized by reaction of 4-piperidino-piperidine with dibromo-pentane. The dication is built up from three linked piperidine rings, two of which have one quaternary N atom in common (azoniaspiro), whereas the third is N-C bonded to the azoniaspiro system and protonated on the N atom (piperidinium). All three piperidine rings adopt chair conformations. The crystal structure features O-H⋯Br and N-H⋯Br hydrogen bonds.

No MeSH data available.