Polymorphism in the structure of N-(5-methylthiazol-2-yl)-4-oxo-4H-chromene-3-carboxamide
نویسندگان
چکیده
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.
منابع مشابه
New insights in the discovery of novel h-MAO-B inhibitors: structural characterization of a series of N-phenyl-4-oxo-4H-chromene-3-carboxamide derivatives
Six N-substituted-phenyl 4-oxo-4H-chromene-3-carboxamides, namely N-(2-nitro-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10N2O5 (2b), N-(3-meth-oxy-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C17H13NO4, (3a), N-(3-bromo-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10BrNO3, (3b), N-(4-methoxy-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C17H13NO4, (4a), N-(4-methyl-phen-yl)-4-oxo-4H-chromene-3-car...
متن کاملThe crystal structures of four N-(4-halophenyl)-4-oxo-4H-chromene-3-carboxamides
Four N-(4-halophen-yl)-4-oxo-4H-chromene-3-carboxamides (halo = F, Cl, Br and I), N-(4-fluoro-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10FNO3, N-(4-chloro-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10ClNO3, N-(4-bromo-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10BrNO3, N-(4-iodo-phen-yl)-4-oxo-4H-chromene-3-carboxamide, C16H10INO3, have been structurally characterized. The mol-ecules...
متن کاملN-[2-(6-Methyl-4-oxo-4H-chromen-3-yl)-4-oxothiazolidin-3-yl]furan-2-carboxamide N,N-dimethylformamide solvate
The title mol-ecule, C(18)H(14)N(2)O(5)S·C(3)H(7)NO, comprises of a carboxamide group bonded to a furan ring and a distorted envelope-shaped 4-oxothia-zolidin-3-yl group which is connected to a substituted 6-methyl-4-oxo-4H-chromen-3-yl group. Extensive strong N-H⋯O and weak C-H⋯O inter-molecular hydrogen-bonding inter-actions occur between dimethyl-formamide (DMF), the crystallizing solvent, a...
متن کاملCrystal structures of three 6-substituted coumarin-3-carboxamide derivatives
Three coumarin derivatives, viz. 6-methyl-N-(3-methyl-phen-yl)-2-oxo-2H-chromene-3-carboxamide, C18H15NO3 (1), N-(3-meth-oxy-phen-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide, C18H15NO4 (2), and 6-meth-oxy-N-(3-meth-oxy-phen-yl)-2-oxo-2H-chromene-3-carboxamide, C18H15NO5 (3), were synthesized and structurally characterized. The mol-ecules display intra-molecular N-H⋯O and weak C-H⋯O hydrogen bo...
متن کاملA comparison of the structures of some 2- and 3-substituted chromone derivatives: a structural study on the importance of the secondary carboxamide backbone for the inhibitory activity of MAO-B
The crystal structures of the 3-substituted tertiary chromone carboxamide derivative, C17H13NO3, N-methyl-4-oxo-N-phenyl-4H-chromene-3-carboxamide (1), and the chromone carbonyl pyrrolidine derivatives, C14H13NO3, 3-(pyrrolidine-1-carbon-yl)-4H-chromen-4-one (3) and 2-(pyrrolidine-1-carbon-yl)-4H-chromen-4-one (4) have been determined. Their structural features are discussed and compared with s...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 73 شماره
صفحات -
تاریخ انتشار 2017