Crystal and Molecular Structure of (9R)-10,11-dihydro-6′-methoxy-cinchonan-9-ol-4-chlorobenzoate hydrochloride

✍ Scribed by P. Kumaradhas; N. Kalyanam; K.A. Nirmala

• Publisher: John Wiley and Sons
• Year: 2001
• Tongue: English
• Weight: 124 KB
• Volume: 36
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/1521-4079(200112)36:12<1435::aid-crat1435>3.0.co;2-h

✦ Synopsis

The crystal structure of the title compound has been determined by single crystal X-ray diffraction methods. C 27 H 29 N 2 O 3 Cl.HCl is one of the cinchona alkaloids. It crystallizes in the space group P2 1 2 1 2 1 with a = 11.745(3), b = 12.353(6), c = 17.253(6) Å and Z = 4. The structure was refined to a final R value of 0.062 for 2155 observed reflections. The CN distances are unequal in the quinoline ring system. In quinulidine ring, the bonds around N are more tetrahedral. The spatial arrangement and torsion angles show the open conformation of the molecule. The molecular packing is stabilized by hydrogen bonding.