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Morpholine-4-carboxamidinium ethyl carbonate.

ABSTRACT: The asymmetric unit of the title salt, C5H12N3O(+)·C3H5O3(-), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C-N bond lengths in the central CN3 units of the cations range between 1.324?(2) and 1.352?(2)?Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charges are delocalized in the CN3 planes. The morpholine rings are in chair conformations. The C-O bond lengths in both ethyl carbonate ions are characteristic for delocalized double bonds [1.243?(2)-1.251?(2)?Å] and typical single bonds [1.368?(2) and 1.375?(2)?Å]. In the crystal, N-H?O hydrogen bonds between cations and anions generate a two-dimensional network in the ac plane.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3589013 | biostudies-literature | 2012 Dec

REPOSITORIES: biostudies-literature

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Morpholine-4-carboxamidinium ethyl carbonate.

Tiritiris Ioannis I

Acta crystallographica. Section E, Structure reports online 20121124 Pt 12

The asymmetric unit of the title salt, C5H12N3O(+)·C3H5O3(-), contains two carboxamidinium and two ethyl carbonate ions. In the crystal, the C-N bond lengths in the central CN3 units of the cations range between 1.324 (2) and 1.352 (2) Å, indicating partial double-bond character. The central C atoms are bonded to the three N atoms in a nearly ideal trigonal-planar geometry and the positive charges are delocalized in the CN3 planes. The morpholine rings are in chair conformations. The C-O bond le ...[more]

PMID: 23476249

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