Abstract
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.
Highlights
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
H atoms treated by a mixture of independent and constrained refinement max = 0.39 e Å3
The molecular structure is stabilized by an intramolecular N—H O hydrogen bond
Summary
H atoms treated by a mixture of independent and constrained refinement max = 0.39 e Å3. 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. H O and N—H S hydrogen bonds link the molecules into a sheet parallel to the bc plane. Data collection: SMART (Bruker, 2002); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999)
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