title: (5RS)-5-(4-Methoxyphenyl)-2-(methylsulfanyl)benzo[g]pyrimido[4,5-b]quinoline-4,6,11(3H,5H,12H)-trione, with Z' = 3, forms a three-dimensional hydrogen-bonded framework containing five types of hydrogen bond.
abstract: The title compound, C23H17N3O4S, crystallizes with Z' = 3 in the space group P-1. Two of the three independent molecules are broadly similar in terms of both their molecular conformations and their participation in hydrogen bonds, but the third molecule differs from the other two in both of these respects. The molecules are linked by a combination of N-H...O, N-H...N, C-H...O, C-H...N and C-H...π(arene) hydrogen bonds to form a continuous three-dimensional framework structure within which a centrosymmetric six-molecule aggregate can be identified as a key structural element.
authors.affiliation: Grupo de Investigación en Compuestos Heterocíclicos, Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Barranquilla, Colombia.
authors.forename: Yelder A
authors.initials: YA
authors.lastname: Castillo
authors.affiliation: Grupo de Investigación en Compuestos Heterocíclicos, Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Barranquilla, Colombia.
authors.forename: Luis F
authors.initials: LF
authors.lastname: Zapata
authors.affiliation: Grupo de Investigación en Compuestos Heterocíclicos, Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Barranquilla, Colombia.
authors.forename: Jorge
authors.initials: J
authors.lastname: Trilleras
authors.affiliation: Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
authors.forename: Justo
authors.initials: J
authors.lastname: Cobo
authors.affiliation: School of Chemistry, University of St Andrews, Fife KY16 9ST, Scotland.
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell
mesh_terms: D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008968:Molecular Conformation; D011743:Pyrimidines / Q000737:chemistry*; D015363:Quinolones / Q000737:chemistry*
chemical_list: C000588705:(5RS)-5-(4-methoxyphenyl)-2-(methylsulfanyl)benzo(g)pyrimido(4,5-b)quinoline-4,6,11(3H,5H,12H)-trione; D011743:Pyrimidines; D015363:Quinolones
keywords: crystal structure; hydrogen bonding; six-molecule aggregate; supramolecular aggregation