4-Oxo-N-phenyl-4H-chromene-2-carboxamide and of a new polymorph of 7-methoxy-4-oxo-N-p-tolyl-4H-chromene-2-carboxamide and its hemihydrate

被引:2
作者
Reis, Joana [1 ]
Gaspar, Alexandra [1 ]
Borges, Fernanda [1 ]
Gomes, Ligia R. [2 ,3 ]
Low, John Nicolson [4 ]
机构
[1] Univ Porto, Fac Ciencias, CIQ Dept Quim & Bioquim, P-4169007 Oporto, Portugal
[2] Univ Fernando Pessoa, Escola Super Saude UFP, CIAGEB Fac Ciencias Saude, P-4200150 Oporto, Portugal
[3] Univ Porto, Fac Ciencias, Dept Quim & Bioquim, REQUIMTE, P-4169007 Oporto, Portugal
[4] Univ Aberdeen, Dept Chem, Old Aberdeen AB24 3UE, Scotland
关键词
crystal structure; drug design; chromones; conformation; supramolecular structure;
D O I
10.1107/S0108270113029727
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
4-Oxo-N-phenyl-4H-chromene-2-carboxamide, C16H11NO3, crystallizes in the space group P2(1)/n and its derivative 7-methoxy-4-oxo-N-p-tolyl-4H-chromene-2-carboxamide, C18H15NO4, forms two polymorphs which crystallize in the space groups P2(1)/c and P (1) over bar. The structures have an anti-rotamer conformation about the C-N bond; however, the amide O atom can be either trans-or cis-related to the O atom of the pyran ring. The latter compound also crystallizes as a hemihydrate, C18H15NO4 center dot 0.5H(2)O, in the space group C2/c. This compound has a similar structure to that of the unsolvated compound.
引用
收藏
页码:1527 / +
页数:20
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