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Piperidine-1-carboxamidinium ethyl carbonate.

ABSTRACT: In the title salt, C6H14N3(+)·C3H5O3(-), the C-N bond lengths in the central CN3 unit of the carboxamidinium cation are 1.3262?(18), 1.3359?(18) and 1.3498?(18)?Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The piperidine ring is in a chair conformation. The C-O bond lengths in the ethyl carbonate anion are characteristic for a delocalized double bond and a typical single bond. In the crystal, N-H?O hydrogen bonds between cations and anions generate a two-dimensional network in the direction of the ab plane, whereas adjacent ion pairs form chains running along the b axis.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3588849 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other

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Piperidine-1-carboxamidinium ethyl carbonate.

Tiritiris Ioannis I

Acta crystallographica. Section E, Structure reports online 20121110 Pt 12

In the title salt, C6H14N3(+)·C3H5O3(-), the C-N bond lengths in the central CN3 unit of the carboxamidinium cation are 1.3262 (18), 1.3359 (18) and 1.3498 (18) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charge is delocalized in the CN3 plane. The piperidine ring is in a chair conformation. The C-O bond lengths in the ethyl carbonate anion are characteristic for a delocalized double bo ...[more]

PMID: 23468814

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