کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1409503 1501824 2011 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
X-ray crystallography and computational studies of a variety of pyrrole derivatives obtained from mesoionic oxazoles and selected chromenones
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
X-ray crystallography and computational studies of a variety of pyrrole derivatives obtained from mesoionic oxazoles and selected chromenones
چکیده انگلیسی
The molecular structure, packing properties, and intermolecular interactions of a series of pyrrole derivatives have been determined by single-crystal X-ray diffraction. They were efficiently synthesized from mesoionic oxazoles and selected chromenones via initial 1,3-dipolar cycloaddition followed by cascade transformations. Compounds 4-6 are described as three fused rings associated in the crystal lattice through H-bonding interactions. Besides the H-bonding interactions encountered in the crystal packing of 4-8, a different strong centrosymmetric π-interaction has been found in 8, involving the cyano group and the π-system of aromatic pyrrole ring. A density functional theory (DFT) study was carried out on the supramolecular dimer in order to understand the nature and role of this intermolecular force in driving the molecular packing.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 990, Issues 1–3, 29 March 2011, Pages 132-139
نویسندگان
, , , , , , ,