Brucinium 2‐carboxy‐6‐nitrophthalate dihydrate: the 1:1 proton‐transfer compound of brucine with 3‐nitrophthalic acid | Zendy

Wermuth Urs D. | Zendy; Smith Graham | Zendy; Young David J. | Zendy; Healy Peter C. | Zendy

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Brucinium 2‐carboxy‐6‐nitrophthalate dihydrate: the 1:1 proton‐transfer compound of brucine with 3‐nitrophthalic acid

Author(s) -

Wermuth Urs D.,

Smith Graham,

Young David J.,

Healy Peter C.

Publication year - 2005

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536805017149

Subject(s) - brucine , hydrogen bond , chemistry , protonation , nitro , stereochemistry , phthalate , crystallography , ion , medicinal chemistry , molecule , organic chemistry , biochemistry , strychnine , alkyl

In the title compound (systematic name: 2,3‐dimethoxy‐10‐oxostrychnidinium 2‐carboxy‐6‐nitrophthalate dihydrate), C 23 H 27 N 2 O 4 + ·C 8 H 4 NO 6 − ·2H 2 O, the carboxylic acid and carboxylate groups of the hydrogenphthalate anions form head‐to‐tail catemeric chains of strong intermolecular O—H⋯O hydrogen bonds [O⋯O distance = 2.563 (5) Å] along the 2 1 screw axes parallel to the a axis. The chains further associate with the water molecules, forming sheet structures parallel to (010). The protonated N atom at the 19‐position of the brucine molecule forms a peripheral intermolecular hydrogen bond with the carboxylate group of the anion.

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