Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)


organic compounds



su2351 scheme

Acta Cryst. (2012). E68, o235-o236    [ doi:10.1107/S1600536811054626 ]

Tetragonal polymorph of 5,5-dichlorobarbituric acid

T. Gelbrich, D. Rossi and U. J. Griesser

Abstract: The tetragonal polymorph of 5,5-dichlorobarbituric acid (m.p. 478 K), C4H2Cl2N2O3, forms an N-H...O hydrogen-bonded tape structure along [001]. Two tapes related by a twofold rotation axis are associated via Cl...O contacts [3.201 (1) Å], and four such chain pairs are arranged around a fourfold roto-inversion axis. The crystal structures of the monoclinic and orthorhombic polymorphs have been reported previously [Gelbrich et al. (2011). CrystEngComm, 13, 5502-5509].


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