8-Hydroxy-(S)-3-methyl-1-oxoisochromane-5-carboxylic acid (5-carboxymellein)
✍ Scribed by Wang, Jian-Feng ;Fang, Mei-Juan ;Zhao, Yu-Fen ;Huang, Yao-Jian ;Su, Wen-Jin ;Ng, Seik Weng
- Publisher
- International Union of Crystallography
- Year
- 2003
- Tongue
- English
- Weight
- 171 KB
- Volume
- 59
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The molecules of the title compound, C 11 H 10 O 5 , are linked by a hydrogen bond involving the acid H and the carbonyl O atom of the dihydroisocoumarin unit into a linear chain running along the b axis of the monoclinic unit cell.
📜 SIMILAR VOLUMES
Chiral oxazolinyl-modi®ed ferrocenecarboxylic acid, (S,S p )-[Fe{ 5 -C 5 H 3 (CO 2 H-1)(C 6 H 10 NO-2)}( 5 -C 5 H 5 )] or [Fe(C 5 H 5 )-(C 12 H 14 NO 3 )], crystallizes as a molecular compound, featuring an intramolecular OÐHÁ Á ÁN hydrogen bond between the carboxyl hydroxy group and oxazoline N ato
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.002 A Ê R factor = 0.041 wR factor = 0.119 Data-to-parameter ratio = 12.8 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the crystal structure of the title compound, C 8 H 12 N 2 O 2 S, the molecules are linked into centrosymmetric dimers by a pair of strong O-HÁ Á ÁO hydrogen bonds. Intermolecular SÁ Á ÁS contacts between adjacent dimers generate a sheet-like structure running parallel to the (211) plane.
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