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

Acta Crystallographica Section E: Crystallographic Communications

Borges, F.¹  Cagide, F.¹  Low, J.N.²  Gomes, L.R.³ 

[1] CIQ/Departamento de Qu?mica e Bioqu?mica, Faculdade de Ciências, Universidade do Porto, 4169-007 Porto, Portugal;Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB24 3UE, Scotland;FP-ENAS-Faculdade de Ciências de Saúde, Escola Superior de Saúde da UFP, Universidade Fernando Pessoa, Rua Carlos da Maia, 296, P-4200-150 Porto, Portugal

关键词: CRYSTAL STRUCTURE;    DRUG DESIGN;    CHROMONES;    CONFORMATION;    SUPRAMOLECULAR STRUCTURE;   

DOI  :  10.1107/S2056989017009902

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Chromone derivatives have been extensively studied recently because of to their promising biological activities. The new title chromone–thia­zole 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 intra­molecular contacts defining the supra­molecular structure. Those differences been highlighted by Hirshfeld surface analysis mapped over dnorm and ESP.

【 授权许可】

CC BY