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Tetra-gonal polymorph of 5,5-dichloro-barbituric acid.

ABSTRACT: The tetra-gonal polymorph of 5,5-dichloro-barbituric acid (m.p. 478?K), C(4)H(2)Cl(2)N(2)O(3), 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 ortho-rhom-bic polymorphs have been reported previously [Gelbrich et al. (2011 ?). CrystEngComm, 13, 5502-5509].

SUBMITTER: Gelbrich T

PROVIDER: S-EPMC3254567 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Tetra-gonal polymorph of 5,5-dichloro-barbituric acid.

Gelbrich Thomas T Rossi Denise D Griesser Ulrich J UJ

Acta crystallographica. Section E, Structure reports online 20111223 Pt 1

The tetra-gonal polymorph of 5,5-dichloro-barbituric acid (m.p. 478 K), C(4)H(2)Cl(2)N(2)O(3), 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 ortho-rhom-bic polymorphs have been reported previously [Gelbrich et al. (2011 ▶). CrystEngComm, 13, 5502-5509]. ...[more]

PMID: 22259517

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