The title compounds, C7H9N2O+.ClO- 4, (1), and C13H15N3O2+.ClO- 4.H2O, (2), have been synthesized and their crystal structures determined. The C-N(carbamoyl) bond in each compound has some double-bond character [bond lengths 1.319(5) for (1) and 1.325 (7) Å for (2)], indicating that the sp2 hybridization is delocalized over the O-C-N(carbamoyl) unit. The carbamoylmethyl plane is canted with respect to the attached pyridinium plane at an angle of 63.5 (2) for (1) and 79.1 (2)° for (2). Two major conformers have been found in the molecular mechanics calculations performed on the N-carbamoylmethylpyridinium cation.
|ジャーナル||Acta Crystallographica Section C: Crystal Structure Communications|
|出版ステータス||出版済み - 3 15 1997|
All Science Journal Classification (ASJC) codes
- Biochemistry, Genetics and Molecular Biology(all)