Аннотация:The title compound, (C 15 H 15 NO 3 ), crystallizes in the monoclinic space group, P2 1 /c, with a=14.2603(8)Å,b=14.1478(6)Å,c=6.5745(3)Å,R(F 2 )=0.043 for 3046 independent reflections.The intramolecular hydrogen bond occurs between the pairs of atom O and N [2.5848(16)Å] and the hydrogen atom is essentially bonded to the oxygen atom.Intermolecular C-H...O hydrogen bonds produce R 4 4 (34) ring, which lead two-dimensional chains.An extensive three-dimensional network of C-H...O hydrogen bonds, and C-H...π interactions are responsible for crystal stabilization.Conformations of the title compound were investigated also by semi-empirical quantum mechanical PM3 and AM1 calculations.
Источник:Acta Crystallographica Section A Foundations of Crystallography
Ключевые слова:Organometallic Compounds Synthesis and Characterization, Crystal structures of chemical compounds, Synthesis and Characterization of Heterocyclic Compounds
