Polymorphism in the structure of N-(5-methyl-thia-zol-2-yl)-4-oxo-4 H-chromene-3-carboxamide

N-(5-甲基-噻唑-2-基)-4-氧代-4H-色烯-3-甲酰胺结构的多晶型

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作者:Ligia R Gomes, John Nicolson Low, Fernando Cagide, Fernanda Borges

Abstract

Chromone derivatives have been extensively studied recently because of to their promising biological activities. The new title chromone-thia-zole hybrid presented here, C14H10N2O3S, is a candidate as a selective ligand for adenosine receptors. The compound has been synthesized and characterized by the usual spectroscopic means (NMR and EM/IE) and its structure elucidated by X-ray crystallography, which revealed the presence of packing polymorphism. The two polymorphs (one with space group P21/n and one with P21/c) show slightly different conformations and the major change induced by crystallization regards the intra-molecular contacts defining the supra-molecular structure. Those differences been highlighted by Hirshfeld surface analysis mapped over dnorm and ESP.

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