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1-(2,4,6-Trioxo-1,3-diazinan-5-yl-idene)thio-semicarbazide.

ABSTRACT: The title mol-ecule, C(5)H(5)N(5)O(3)S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182?(3)?Å for the amine N atom. In the crystal, mol-ecules are connected via N-H?O and N-H?S inter-actions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intra-molecular N-H?O hydrogen bond is observed.

SUBMITTER: Bittencourt VC

PROVIDER: S-EPMC3344124 | biostudies-other | 2012 Apr

REPOSITORIES: biostudies-other

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1-(2,4,6-Trioxo-1,3-diazinan-5-yl-idene)thio-semicarbazide.

Bittencourt Viviane C D VC Gervini Vanessa Carratu VC Bresolin Leandro L Locatelli Aline A de Oliveira Adriano Bof AB

Acta crystallographica. Section E, Structure reports online 20120324 Pt 4

The title mol-ecule, C(5)H(5)N(5)O(3)S, is approximately planar, with a maximum deviation from the mean plane through the non-H atoms of 0.182 (3) Å for the amine N atom. In the crystal, mol-ecules are connected via N-H⋯O and N-H⋯S inter-actions, building a three-dimensional hydrogen-bonded network. Additionally, a weak intra-molecular N-H⋯O hydrogen bond is observed. ...[more]

PMID: 22606127

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