2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[a]quinolizine-water (2/5).
Crystals of the title compound, C(23)H(17)ClN(4)O(2).2.5H(2)O, contain channels filled with highly disordered water molecules. The best structure refinement was obtained by removing the solvent contribution from the intensity data and refining against a solvent-free model. The central six-membered ring of the quinolizine molecule has a slightly distorted screw-boat conformation.
Linden
Anthony
A
Institute of Organic Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland. alinden@oci.unizh.ch
Awad
Enas M
EM
Elwan
Nehal M
NM
Hassaneen
Hamdi M
HM
Heimgartner
Heinz
H
D016573:Agrochemicals / Q000737:chemistry; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D009570:Nitriles / Q000737:chemistry*; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011807:Quinolizines / Q000737:chemistry*; D014867:Water
C454613:2-(4-chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo(a)quinolizine; D016573:Agrochemicals; D009570:Nitriles; D004364:Pharmaceutical Preparations; D011807:Quinolizines; D014867:Water