(3R,4S)-2-Isopropyl-3-methyl-4-phenyl-3,4-dihydroisoquinolinium iodide

✍ Scribed by Ben Ali, Karim ;Chiaroni, Angèle ;Bohe, Luis

• Book ID: 104491343
• Publisher: International Union of Crystallography
• Year: 2007
• Tongue: English
• Weight: 719 KB
• Volume: 63
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536807030565

✦ Synopsis

The title compound, C 19 H 22 N + ÁI À , is a new dihydroisoquinolinium salt, used as a catalyst in asymmetric epoxidation. It was characterized by NMR spectroscopy and X-ray crystallographic techniques. The absolute configurations of the two stereogenic centres were established by the refinement of the Flack parameter to be 3R and 4S.

Related literature

For general background, see: Bohe ´et al. (1999); Xia et al. (2005). For related literature, see: Cremer & Pople (1975). Experimental Crystal data C 19 H 22 N + ÁI À M r = 391.28 Hexagonal, P6 1 a = 9.773 (4) A c = 32.630 (12) A V = 2699.0 (19) A ˚3 Z = 6 Mo K radiation = 1.77 mm À1 T = 293 (2) K 0.40 Â 0.35 Â 0.35 mm Data collection Nonius KappaCCD diffractometer Absorption correction: multi-scan (SCALEPACK; Otwinowski & Minor, 1997) T min = 0.491, T max = 0.540 6545 measured reflections 3694 independent reflections 2992 reflections with I > 2(I) R int = 0.014 Refinement R[F 2 > 2(F 2 )] = 0.038 wR(F 2