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Methyl 8-hydroxy-(S)-3-methyl-1-oxoisochromane-5-carboxyl­ate (5-methoxy­carbonyl­mellein)

✍ Scribed by Wang, Jian-Feng ;Zhang, Yong-Jie ;Huang, Yao-Jian ;Su, Wen-Jin ;Lu, Yang ;Zhao, Yu-Fen ;Ng, Seik Weng

Publisher
International Union of Crystallography
Year
2003
Tongue
English
Weight
158 KB
Volume
59
Category
Article
ISSN
1600-5368

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📜 SIMILAR VOLUMES

8-Hydro­xy-(S)-3-methyl-1-oxoisochromane
8-Hydro­xy-(S)-3-methyl-1-oxoisochromane-5-carboxyl­ic acid (5-carboxy­mellein)
✍ Wang, Jian-Feng ;Fang, Mei-Juan ;Zhao, Yu-Fen ;Huang, Yao-Jian ;Su, Wen-Jin ;Ng, 📂 Article 📅 2003 🏛 International Union of Crystallography 🌐 English ⚖ 171 KB

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.

Methyl 3-benzoyl-8-hydroxy-5-methoxy­ind
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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.

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✍ Ramos Silva, Manuela ;Matos Beja, Ana ;Paixão, José António ;Lopes, Susana H. ;C 📂 Article 📅 2005 🏛 International Union of Crystallography 🌐 English ⚖ 209 KB

In the solid state, the title compound, C 15 H 23 NO 4 , forms centrosymmetric dimers in which individual molecules are linked by intermolecular N-HÁ Á ÁO hydrogen bonds. The pyrrole ring is planar within 0.004 (9) A ˚.