1986•YAKUGAKU ZASSHIOpen access
The Molecular Structures of p-Nitro and p-Chlorobenzyl Derivatives of Barbital
Hiroaki Takayanagi, Shinichi Munemura, Motoaki Goto, Haruo Ogura, Masayuki Onda
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Abstract
The molecular structures of p-nitro and p-chlorobenzyl derivatives of barbital were established as 5, 5-diethyl-1, 3-bis (p-nitrobenzyl) barbituric acid (1) and 1, 3-bis (p-chlorobenzyl)-5, 5-diethylbarbituric acid (2) by means of the X-ray crystallographic analysis. Both crystals belong to a monoclinic system with a space group P211/n. The cell constants for 1 are a=14.650 (1), b=16.009 (1), c=9.549 (1)Å, β=97.70 (1)°, and those of 2 are a=18.027 (4), b=8.374 (1), c=15.271 (3)Å, β=106.92 (2)°. The structure of 1 was refined to be R=0.099 for 1802 reflections, and that of 2 to be R=0.088 for 2969 reflections.
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