title: (9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido[4,5-b]quinolin-4(3H)-one: polarized molecules within hydrogen-bonded bilayers.
abstract: The molecules of the title compound, C(26)H(25)N(3)OS, which was prepared by means of an acid-catalysed cyclocondensation reaction between a 6-aminopyrimidinone and 2,6-dibenzylidenecyclohexanone, exhibit a polarized electronic structure, namely (9E)-9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-3,5,6,7,8,9-hexahydropyrimido[4,5-b]quinolin-10-ium-4-olate, involving charge separation in the vinylogous amide portion. Four hydrogen bonds, two each of the C-H...O and C-H...pi(arene) types, link the molecules into bilayers comprising inversion-related pairs of sheets, each containing a single type of R(4)(3)(36) ring.
authors.affiliation: Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
authors.forename: Diana
authors.initials: D
authors.lastname: Becerra
authors.forename: Braulio
authors.initials: B
authors.lastname: Insuasty
authors.forename: Justo
authors.initials: J
authors.lastname: Cobo
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell
mesh_terms: D002384:Catalysis; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D007477:Ions / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D011744:Pyrimidinones / Q000737:chemistry*; D011804:Quinolines / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: C552263:9-benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-5,6,7,8,9,10-hexahydropyrimido(4,5-b)quinolin-4(3H)-one; D007477:Ions; D011744:Pyrimidinones; D011804:Quinolines