| Literature DB >> 24311505 |
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
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Year: 2013 PMID: 24311505 DOI: 10.1107/S0108270113029727
Source DB: PubMed Journal: Acta Crystallogr C ISSN: 0108-2701 Impact factor: 1.172