Single-crystal X-ray study T = 150 K Mean '(C±C) = 0.002 A Ê R factor = 0.058 wR factor = 0.124 Data-to-parameter ratio = 21.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
trans-(1R,3S)-Methyl 1-methyl-1,2,3,4-tetrahydro-β-carboline-3-carboxylate
✍ Scribed by Alam, Samina ;Hasan, Mashooda ;Saeed, Sadaf ;Fischer, Andreas ;Khan, Naeema
- Publisher
- International Union of Crystallography
- Year
- 2007
- Tongue
- English
- Weight
- 191 KB
- Volume
- 63
- Category
- Article
- ISSN
- 1600-5368
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✦ Synopsis
The title compound, C 14 H 16 N 2 O 2 , was obtained from the reaction between S-tryptophan methyl ester hydrochloride and acetaldehyde. The molecule adopts a trans configuration, with the methyl and methoxycarbonyl groups located on opposite sides of the central tetrahydro--carboline unit. Bifurcated intermolecular N-HÁ Á ÁO/N hydrogen bonds link the molecules into chains.
📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 298 K Mean '(C±C) = 0.005 A Ê R factor = 0.035 wR factor = 0.107 Data-to-parameter ratio = 10.3 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
Single-crystal X-ray study T = 298 K Mean (C-C) = 0.005 A R factor = 0.087 wR factor = 0.168 Data-to-parameter ratio = 12.5 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
The title compound, C~27~H~27~N~3~O~2~S, was obtained __via__ a multicomponent reaction using benzaldehyde, ethyl acetoacetate, ammonium acetate and phenyl isothiocyanate. The pyrimidine ring assumes a half-boat conformation. The crystal packing is stabilized by N—H...O and N—H...S hydrogen bonds. T