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Crystal structure of (eth-oxy-ethyl-idene)di-methyl-aza-nium ethyl sulfate.

ABSTRACT: In the title salt, C6H14NO(+)·C2H5SO4 (-), the C-N bond lengths in the cation are 1.2981?(14), 1.4658?(14) and 1.4707?(15)?Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.3157?(13)?Å shows double-bond character, indicating charge delocalization within the NCO plane of the iminium ion. In the crystal, C-H?O hydrogen bonds between H atoms of the cations and O atoms of neighbouring ethyl sulfate anions are present, generating a three-dimensional network.

SUBMITTER: Tiritiris I

PROVIDER: S-EPMC4719878 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of (eth-oxy-ethyl-idene)di-methyl-aza-nium ethyl sulfate.

Tiritiris Ioannis I Saur Stefan S Kantlehner Willi W

Acta crystallographica. Section E, Crystallographic communications 20151107 Pt 12

In the title salt, C6H14NO(+)·C2H5SO4 (-), the C-N bond lengths in the cation are 1.2981 (14), 1.4658 (14) and 1.4707 (15) Å, indicating double- and single-bond character, respectively. The C-O bond length of 1.3157 (13) Å shows double-bond character, indicating charge delocalization within the NCO plane of the iminium ion. In the crystal, C-H⋯O hydrogen bonds between H atoms of the cations and O atoms of neighbouring ethyl sulfate anions are present, generating a three-dimensional network. ...[more]

PMID: 26870525

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