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(Meth-oxy-methyl-idene)di-methyl-aza-nium tetra-phenyl-borate aceto-nitrile monosolvate.

ABSTRACT: In the cation of the title salt, C4H10NO(+)·C24H20B(-)·C2H3N, the C-N bond lengths are 1.2864?(16), 1.4651?(17) and 1.4686?(16)?Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.2978?(15)?Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. C-H?? inter-actions are present between the methine H atom and two of the phenyl rings of the tetra-phenyl-borate ion. The latter forms an aromatic pocket in which the cation is embedded. The iminium ion is further connected through a C-H?N hydrogen bond to the aceto-nitrile mol-ecule. This leads to the formation of a two-dimensional supramolecular pattern along the bc plane.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC3998454 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature

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(Meth-oxy-methyl-idene)di-methyl-aza-nium tetra-phenyl-borate aceto-nitrile monosolvate.

Tiritiris Ioannis I Saur Stefan S Kantlehner Willi W

Acta crystallographica. Section E, Structure reports online 20140222 Pt 3

In the cation of the title salt, C4H10NO(+)·C24H20B(-)·C2H3N, the C-N bond lengths are 1.2864 (16), 1.4651 (17) and 1.4686 (16) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.2978 (15) Å shows double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. C-H⋯π inter-actions are present between the methine H atom and two of the phenyl rings of the tetra-phenyl-borate ion. The latter forms an aromatic pocket in which ...[more]

PMID: 24765028

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