N-(CARBAMOYLMETHYL)PYRIDINIUM PERCHLORATE AND N-(CARBAMOYLMETHYL)-N'-METHYL-4,4'-BIPYRIDINIUM DIPERCHLORATE HYDRATE

Authors
SAKAI K IKUTA Y SHIOMI M TAMANE T TOMITA Y TSUBOMURA T NEMOTO N
Citation
K. Sakai et al., N-(CARBAMOYLMETHYL)PYRIDINIUM PERCHLORATE AND N-(CARBAMOYLMETHYL)-N'-METHYL-4,4'-BIPYRIDINIUM DIPERCHLORATE HYDRATE, Acta crystallographica. Section C, Crystal structure communications, 53, 1997, pp. 331-334
Citations number
10
Categorie Soggetti
Crystallography
Journal title
Acta crystallographica. Section C, Crystal structure communications → ACNP
ISSN journal
01082701
Volume
53
Year of publication
1997
Part
3
Pages
331 - 334
Database
ISI
SICI code
0108-2701(1997)53:<331:NPAN>2.0.ZU;2-2
Abstract
The title compounds, C7H9N2O+.ClO4-, (1), and C13H15N3O2+.2ClO(4)(-).H 2O, (2), have been synthesized and their crystal structures determined . The C-N(carbamoyl) bond in each compound has some double-bond charac ter [bond lengths 1.319(5) for (1) and 1.325 (7) Angstrom for (2)], in dicating that the sp(2) hybridization is delocalized over the O-C-N(ca rbamoyl) 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 )degrees for (2). Two major conformers have been found in the molecula r mechanics calculations performed on the N-carbamoylmethylpyridinium cation.