title: 2-(4-Chlorophenyl)-1,3-dicyano-6,7-dihydro-4-imino-9,10-dimethoxybenzo[a]quinolizine-water (2/5).
abstract: 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.
authors.affiliation: Institute of Organic Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland. alinden@oci.unizh.ch
authors.forename: Anthony
authors.initials: A
authors.lastname: Linden
authors.forename: Enas M
authors.initials: EM
authors.lastname: Awad
authors.forename: Nehal M
authors.initials: NM
authors.lastname: Elwan
authors.forename: Hamdi M
authors.initials: HM
authors.lastname: Hassaneen
authors.forename: Heinz
authors.initials: H
authors.lastname: Heimgartner
mesh_terms: 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
chemical_list: 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