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Crystal and Molecular Structure of (9R)‐10,11‐dihydro‐6′‐methoxy‐cinchonan‐9‐ol‐4‐chlorobenzoate hydrochloride
Author(s) -
Kumaradhas P.,
Kalyanam N.,
Nirmala K.A.
Publication year - 2001
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200112)36:12<1435::aid-crat1435>3.0.co;2-h
Subject(s) - hydrogen bond , crystallography , quinoline , ring (chemistry) , molecule , crystal structure , chemistry , hydrochloride , crystal (programming language) , organic chemistry , computer science , programming language
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.