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. (12th November 2013)

• Record Type: Journal Article
• Authors: Reis, Joana; Gaspar, Alexandra; Borges, Fernanda; Gomes, Ligia R.; Low, John Nicolson
• Is Part Of: Acta crystallographica. Volume 69:Part 12(2013:Dec.)
• Page Start: 1527
• Page End: 1533
• Publication Date: 2013-11-12
• Subjects: Crystallography -- Periodicals; Crystals -- Periodicals; 548.05
• DOI: 10.1107/S0108270113029727
• Languages: English
• ISSNs: 0108-2701

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>4‐Oxo‐<italic>N</italic>‐phenyl‐4<italic>H</italic>‐chromene‐2‐carboxamide, C₁₆H₁₁NO₃, crystallizes in the space group <italic>P</italic>2₁/<italic>n</italic> and its derivative 7‐methoxy‐4‐oxo‐<italic>N</italic>‐<italic>p</italic>‐tolyl‐4<italic>H</italic>‐chromene‐2‐carboxamide, C₁₈H₁₅NO₄, forms two polymorphs which crystallize in the space groups <italic>P</italic>2₁/<italic>c</italic> and <italic>P</italic><inline-graphic xlink:href="ark:/27927/pgg3zfmwgjq" mimetype="image" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />. The structures have an <italic>anti</italic>‐rotamer conformation about the C—N bond; however, the amide O atom can be either <italic>trans</italic>‐ or <italic>cis</italic>‐related to the O atom of the pyran ring. The latter compound also crystallizes as a hemihydrate, C₁₈H₁₅NO₄·0.5H₂O, in the space group <italic>C</italic>2/<italic>c</italic>. This compound has a similar structure to that of the unsolvated compound.</p> </abstract>