1-Benzoyl-2-thiobiuret

In the title compound [systematic name: N-(carbamoylcarbamothioyl)benzamide], C9H9N3O2S, the benzoyl and terminal urea fragments adopt cisoid and transoid conformations, respectively, with respect to the S atom. The benzoyl and thiobiuret groups are almost coplanar, making a dihedral angle of 8.48&a...

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2012-02, Vol.68 (2), p.o395-o395
Hauptverfasser: Kang, Sung Kwon, Cho, Nam Sook, Jeon, Min Kyeong
Format: Artikel
Sprache:eng
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Zusammenfassung:In the title compound [systematic name: N-(carbamoylcarbamothioyl)benzamide], C9H9N3O2S, the benzoyl and terminal urea fragments adopt cisoid and transoid conformations, respectively, with respect to the S atom. The benzoyl and thiobiuret groups are almost coplanar, making a dihedral angle of 8.48 (5)°. The molecular structure is stabilized by an intramolecular N—H...O hydrogen bond. In the crystal, N—H...O and N—H...S hydrogen bonds link the molecules into a sheet parallel to the bc plane.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536812000621