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1-(5,5-Di-meth-oxy-pent-yl)-3-methyl-imidazolium-2-carboxyl-ate.

ABSTRACT: The title compound, C12H20N2O4, represents one example of a zwitterionic imidazolium salt with a carboxyl-ate group at the 2-position of the imidazolium ring. The dihedral angle between the heterocyclic ring and the carboxyl-ate group is 31.3?(1)°. The side chain linking the N atom of the ring and the methine C atom has a gauche-anti-anti conformation [torsion angles = -60.3?(2), -175.7?(2) and 178.7?(2)°, respectively]. In the crystal, mol-ecules are linked by short C-H?O hydrogen bonds involving the C-H groups in the aromatic ring to generate (001) sheets.

SUBMITTER: Walter O

PROVIDER: S-EPMC3884286 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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1-(5,5-Di-meth-oxy-pent-yl)-3-methyl-imidazolium-2-carboxyl-ate.

Walter Olaf O

Acta crystallographica. Section E, Structure reports online 20131005 Pt 11

The title compound, C12H20N2O4, represents one example of a zwitterionic imidazolium salt with a carboxyl-ate group at the 2-position of the imidazolium ring. The dihedral angle between the heterocyclic ring and the carboxyl-ate group is 31.3 (1)°. The side chain linking the N atom of the ring and the methine C atom has a gauche-anti-anti conformation [torsion angles = -60.3 (2), -175.7 (2) and 178.7 (2)°, respectively]. In the crystal, mol-ecules are linked by short C-H⋯O hydrogen bonds involvi ...[more]

PMID: 24454062

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