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8-Hydroxy-3,4,5-trimethyl-6-oxo-2,3,4,6-tetrahydroisoquinoline-7-carboxylic acid

✍ Scribed by Zhao, Hui ;Gong, Hai-Bin

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 660 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536807045424

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✦ Synopsis

In the natural product title compound, C 13 H 15 NO 4 , intramolecular O-HÁ Á ÁO hydrogen bonds help to establish the conformation.

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For background, see: Jiao et al. (2006); Shen et al. (2006). Experimental Crystal data C 13 H 15 NO 4 M r = 249.26 Orthorhombic, P2 1 2 1 2 1 a = 7.287 (1) A b = 12.228 (2) A c = 13.431 (2) A ˚V = 1196.8 (3) A ˚3 Z = 4 Mo K radiation = 0.10 mm À1 T = 293 (2) K 0.33 Â 0.26 Â 0.20 mm Data collection Bruker APEX CCD diffractometer Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T min = 0.967, T max = 0.980 2616 measured reflections 1370 independent reflections 908 reflections with I > 2(I) R int = 0.062 Refinement R[F 2 > 2(F 2 )] = 0.068 wR(F 2 ) = 0.231 S = 1.13 1370 reflections

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