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N-Butyl-4-butyl-imino-2-methyl-pentan-2-aminium (E)-quercetinate.


ABSTRACT: The title salt, C(14)H(31)N(2) (+)·C(15)H(9)O(7) (-), was obtained in the reaction of quercetin with n-butyl-amine in a mixture of acetone and hexane. The crystal structure determination shows that the quercetin donates one of its phenol H atoms to the N-butyl-4-butyl-imino-2-methyl-pentan-2-amine mol-ecule. The crystal structure of the salt is stabilized by intramolecular (N-H?N for the cation and O-H?O for the anion) and intermolecular hydrogen bonding (N-H?O between cation-anion pairs and O-H?O between anions). Quercetin molecules form dimers connected into a two-dimensional network. The dihedral angle between the quercetin ring systems is 19.61?(8)°.

SUBMITTER: Grosu IG 

PROVIDER: S-EPMC3414362 | biostudies-literature | 2012 Aug

REPOSITORIES: biostudies-literature

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N-Butyl-4-butyl-imino-2-methyl-pentan-2-aminium (E)-quercetinate.

Grosu Ioana-Georgeta IG   Borodi Gheorghe G   Pop Mihaela Maria MM  

Acta crystallographica. Section E, Structure reports online 20120714 Pt 8


The title salt, C(14)H(31)N(2) (+)·C(15)H(9)O(7) (-), was obtained in the reaction of quercetin with n-butyl-amine in a mixture of acetone and hexane. The crystal structure determination shows that the quercetin donates one of its phenol H atoms to the N-butyl-4-butyl-imino-2-methyl-pentan-2-amine mol-ecule. The crystal structure of the salt is stabilized by intramolecular (N-H⋯N for the cation and O-H⋯O for the anion) and intermolecular hydrogen bonding (N-H⋯O between cation-anion pairs and O-H  ...[more]

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