The Hydrogen Bonded Structures of Two 5-Bromobarbituric Acids and Analysis of Unequal C5–X and C5–X′ Bond Lengths (X = X′ = F, Cl, Br or Me) in 5,5-Disubstituted Barbituric Acids

The Hydrogen Bonded Structures of Two 5-Bromobarbituric Acids and Analysis of Unequal C5–X and C5–X′ Bond Lengths (X = X′ = F, Cl, Br or Me) in 5,5-Disubstituted Barbituric Acids

The crystal structure of the methanol hemisolvate of 5,5-dibromobarbituric acid (1MH) displays an H-bonded layer structure which is based on N–H∙∙∙O=C, N–H∙∙∙O(MeOH) and (MeOH)O–H∙∙∙O interactions. The barbiturate molecules form an H-bonded substructure which has the fes topology. 5,5′-Methanediylbi...

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Bibliographic Details
Main Authors: Thomas Gelbrich, Doris E. Braun, Stefan Oberparleiter, Herwig Schottenberger, Ulrich J. Griesser
Format: Article
Language:English
Published: MDPI AG 2016-04-01
Series:Crystals
Subjects:
crystal structure
hydrogen bond
topology
geometry optimization
barbiturates
Online Access:http://www.mdpi.com/2073-4352/6/4/47

Internet

http://www.mdpi.com/2073-4352/6/4/47

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