Synthesis and X-ray structure of a new pyrrolo[1,2-b]-pyridazine derivative

Mino R Caira; Florea Dumitrascu; Constantin Draghici; Denisa Dumitrescu; Mihaela Cristea

doi:10.3390/10020360

Synthesis and X-ray structure of a new pyrrolo[1,2-b]-pyridazine derivative

Molecules. 2005 Feb 28;10(2):360-6. doi: 10.3390/10020360.

Authors

Mino R Caira¹, Florea Dumitrascu, Constantin Draghici, Denisa Dumitrescu, Mihaela Cristea

Affiliation

¹ Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa. xraymino@science.uct.ac.za

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.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Crystallography, X-Ray
Models, Biological
Models, Molecular
Molecular Conformation
Pyridazines / chemical synthesis*
Pyridazines / chemistry*
Pyrroles / chemical synthesis*
Pyrroles / chemistry*

Substances

Pyridazines
Pyrroles
Pyrrolopyridazine