2,3‐Dimethoxy‐10‐oxostrychnidinium 2‐carboxy‐4,5‐dichlorobenzoate | Zendy

Smith Graham | Zendy; Wermuth Urs D. | Zendy; White Jonathan M. | Zendy

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2,3‐Dimethoxy‐10‐oxostrychnidinium 2‐carboxy‐4,5‐dichlorobenzoate

Author(s) -

Smith Graham,

Wermuth Urs D.,

White Jonathan M.

Publication year - 2007

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536807047952

Subject(s) - carboxylate , brucine , hydrogen bond , chemistry , intramolecular force , proton , crystallography , stereochemistry , ion , phthalate , medicinal chemistry , molecule , organic chemistry , biochemistry , physics , quantum mechanics , strychnine

The structure of the title compound, C 23 H 27 N 2 O 4 + ·C 8 H 3 Cl 2 O 4 − , a 1:1 proton‐transfer compound of brucine with 4,5‐dichlorophthalic acid, has been determined at 130 K. The brucinium cations and the hydrogen phthalate anions associate through single N—H...O carboxylate hydrogen bonds [2.639 (3) Å], giving dimers which are extended via weak head‐to‐tail C—H...O methoxy associations into chains forming down the 2 1 screw axis of the unit cell. The carboxyl proton of the anion gives a short intramolecular O—H...O carboxylate hydrogen bond [2.441 (3) Å].

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