The crystal structure of the title compound, C~7~H~7~F~3~N^+^Β·C~8~H~3~Cl~2~O~4~ ^β^, is stabilized by five NβH...O, one OβH...O, two CβH...O and three CβH...__X__ (__X__ = F, Cl) hydrogen bonds. Intramolecular OβH...O and CβH...__X__ hydrogen bonds generate edge-fused [__S__(7)__R__ ~4~ ^4^(24)__S__
2,3-Dimethoxy-10-oxostrychnidinium 2-carboxy-4,5-dichlorobenzoate
β Scribed by Smith, Graham ;Wermuth, Urs D. ;White, Jonathan M.
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 696 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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β¦ Synopsis
The structure of the title compound, C~23~H~27~N~2~O~4~
^+^Β·C~8~H~3~Cl~2~O~4~
^β^, a 1:1 proton-transfer compound of brucine with 4,5-dichlorophthalic acid, has been determined at 130β
K. The brucinium cations and the hydrogen phthalate anions associate through single NβH...O~carboxylate~ hydrogen bonds [2.639β
(3)β
Γ
], giving dimers which are extended via weak head-to-tail CβH...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 OβH...O~carboxylate~ hydrogen bond [2.441β
(3)β
Γ
].
π SIMILAR VOLUMES
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The title compound, C 16 H 26 N 2 O 4 Si 2 , is a mesoionic compound of the sydnone class. Its molecular structure reveals the two planar ring fragments mutually twisted by 74.88 (10) . The crystal packing is characterized by a one-dimensional molecular array generated by C-HΓ Γ ΓO interactions.