Literature DB >> 24311505

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.

Joana Reis1, Alexandra Gaspar, Fernanda Borges, Ligia R Gomes, John Nicolson Low.   

Abstract

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 P1. 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, C18H15NO4·0.5H2O, in the space group C2/c. This compound has a similar structure to that of the unsolvated compound.

Entities:  

Keywords:  chromones; conformation; crystal structure; drug design; supramolecular structure

Mesh:

Substances:

Year:  2013        PMID: 24311505     DOI: 10.1107/S0108270113029727

Source DB:  PubMed          Journal:  Acta Crystallogr C        ISSN: 0108-2701            Impact factor:   1.172


  3 in total

1.  The crystal structures of four N-(4-halophen-yl)-4-oxo-4H-chromene-3-carboxamides.

Authors:  Ligia R Gomes; John Nicolson Low; Fernando Cagide; Fernanda Borges
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2015-01-01

2.  Structure of 7-hy-droxy-3-(2-meth-oxy-phen-yl)-2-tri-fluoro-meth-yl-4H-chromen-4-one.

Authors:  John Nicolson Low; Ligia R Gomes; Alexandra Gaspar; Fernanda Borges
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2017-07-07

3.  A 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.

Authors:  Ligia R Gomes; John Nicolson Low; Fernando Cagide; Alexandra Gaspar; Fernanda Borges
Journal:  Acta Crystallogr E Crystallogr Commun       Date:  2015-10-03
  3 in total

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