title: Synthesis and X-ray structure of a new pyrrolo[1,2-b]-pyridazine derivative.
abstract: The synthesis, characterization and X-ray crystal structure of 2-(4-chloro-phenyl)-7-methylpyrrolo[1,2-b]pyridazine are reported. The compound crystallizes in the space group P2(1)/c (No.14) with a =3.8568(1), b = 11.0690(3), c = 26.4243(7) A, beta =92.777(1) degrees and Z = 4. Accurate molecular parameters for the novel heterocyclic system were obtained from intensity data collected at 113K. The molecule assumes a planar conformation in the crystal and the packing is based on pi-pi stacking with interplanar spacing 3.400 å, typical of aromatic molecules with potential for displaying useful optical properties.
authors.affiliation: Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa. xraymino@science.uct.ac.za
authors.forename: Mino R
authors.initials: MR
authors.lastname: Caira
authors.forename: Florea
authors.initials: F
authors.lastname: Dumitrascu
authors.forename: Constantin
authors.initials: C
authors.lastname: Draghici
authors.forename: Denisa
authors.initials: D
authors.lastname: Dumitrescu
authors.forename: Mihaela
authors.initials: M
authors.lastname: Cristea
mesh_terms: D018360:Crystallography, X-Ray; D008954:Models, Biological; D008958:Models, Molecular; D008968:Molecular Conformation; D011724:Pyridazines / Q000138:chemical synthesis* / Q000737:chemistry*; D011758:Pyrroles / Q000138:chemical synthesis* / Q000737:chemistry*
chemical_list: D011724:Pyridazines; D011758:Pyrroles; C508945:Pyrrolopyridazine