Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.005 A Ê Disorder in main residue R factor = 0.061 wR factor = 0.208 Data-to-parameter ratio = 14.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Methyl 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
✍ Scribed by Vasu, ;Nirmala, K. A. ;Chopra, Deepak ;Mohan, S. ;Saravanan, J.
- Publisher
- International Union of Crystallography
- Year
- 2004
- Tongue
- English
- Weight
- 265 KB
- Volume
- 60
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 293 K Mean '(C±C) = 0.003 A Ê R factor = 0.045 wR factor = 0.126 Data-to-parameter ratio = 12.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the structure of the title compound, C 12 H 17 NO 2 S, the terminal ester group lies in the plane of the thiophene ring system. The cycloheptene ring adopts a half-chair conformation. There are intramolecular N-HÁ Á ÁO and C-HÁ Á ÁO interactions, and intermolecular N-HÁ Á ÁO and C-HÁ Á Á interact