synthesis and x-ray structure of a new pyrrolo[1,2-b]-pyridazine derivative合成和x射线结构新的pyrrolo[1,2 b]哒嗪衍生物.pdfVIP

Molecules 2005, 10, 360-366 molecules ISSN 1420-3049 Synthesis and X-ray Structure of a New Pyrrolo[1,2-b]- pyridazine Derivative Mino R. Caira 1,*, Florea Dumitrascu 2, Constantin Draghici 2, Denisa Dumitrescu 2 and Mihaela 2 Cristea 1 Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa 2 Centre of Organic Chemistry “C. D. Nenitzescu”, Romanian Academy, Spl. Independentei 202B, Bucharest 060023, Romania * To whom correspondence should be addressed; e-mail: xraymino@science.uct.ac.za; Tel. (+27) 21 650 3071; Fax (+27) 21 689 7499 Received: 26 November 2004 / Accepted: 16 December 2004 / Published: 28 February 2005 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 P21/c (No.14) with a =3.8568(1), b = 11.0690(3), c = 26.4243(7) Å, β = 92.777(1)° 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 π-π stacking with interplanar spacing 3.400 Å, typical of aromatic molecules with potential for displaying useful optical properties. Keywords: Pyrrolo[1,2-b]pyridazine, crystal structure, π-π stacking Introduction The fused heterocyclic rings resulting from the condensation of pyridazine with a pyrrole [1,2] or oxazole [3] ring have intere