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Crystal structure of N-butyl-2,3-bis-(di-cyclo-hexyl-amino)-cyclo-propeniminium chloride benzene monosolvate.

ABSTRACT: N-Butyl-2,3-bis-(di-cyclo-hexyl-amino)-cyclo-propenimine (1) crystallizes from benzene and hexa-nes in the presence of HCl as a mono-benzene solvate of the hydro-chloride salt, [1H]Cl·C6H6 or C31H54N3 +·Cl-·C6H6, in the P21/n space group. The protonation of 1 results in the generation of an aromatic structure based upon the delocalization of the cyclo-propene double bond around the cyclo-propene ring, giving three inter-mediate C-C bond lengths of ∼1.41 Å, and the delocalization of the imine-type C-N double bond, giving three inter-mediate C-N bond lengths of ∼1.32 Å. Ion-ion and ion-benzene packing inter-actions are described and illustrated.

SUBMITTER: Munoz Sanchez GM 

PROVIDER: S-EPMC9443799 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of <i>N</i>-butyl-2,3-bis-(di-cyclo-hexyl-amino)-cyclo-propeniminium chloride benzene monosolvate.

Muñoz Sánchez Gaby M GM   Zdilla Michael J MJ  

Acta crystallographica. Section E, Crystallographic communications 20220823 Pt 9

<i>N</i>-Butyl-2,3-bis-(di-cyclo-hexyl-amino)-cyclo-propenimine (<b>1</b>) crystallizes from benzene and hexa-nes in the presence of HCl as a mono-benzene solvate of the hydro-chloride salt, [<b>1</b>H]Cl·C<sub>6</sub>H<sub>6</sub> or C<sub>31</sub>H<sub>54</sub>N<sub>3</sub> <sup>+</sup>·Cl<sup>-</sup>·C<sub>6</sub>H<sub>6</sub>, in the <i>P</i>2<sub>1</sub>/<i>n</i> space group. The protonation of <b>1</b> results in the generation of an aromatic structure based upon the delocalization of the  ...[more]

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