Caira Mino R, Dumitrascu Florea, Draghici Constantin, Dumitrescu Denisa, Cristea Mihaela
Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa.
Molecules. 2005 Feb 28;10(2):360-6. doi: 10.3390/10020360.
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.
报道了2-(4-氯苯基)-7-甲基吡咯并[1,2-b]哒嗪的合成、表征及X射线晶体结构。该化合物结晶于空间群P2(1)/c（编号14），a = 3.8568(1)，b = 11.0690(3)，c = 26.4243(7) Å，β = 92.777(1)°，Z = 4。通过在113K收集的强度数据获得了该新型杂环体系的精确分子参数。分子在晶体中呈平面构象，堆积基于π-π堆积，面间距为3.400 Å，这是具有显示有用光学性质潜力的芳香分子的典型特征。
