Information card for entry 8107636

Structure parameters

• Common name: (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide
• Formula: C9 H10 N2 O S2
• Calculated formula: C9 H10 N2 O S2
• SMILES: S(C(=S)N/N=C/c1c(O)cccc1)C
• Title of publication: Crystal structure of (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide, C9H10N2OS2
• Authors of publication: Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 1
• Pages of publication: 13 - 14
• a: 4.0727 ± 0.0002 Å
• b: 22.256 ± 0.001 Å
• c: 11.4854 ± 0.0006 Å
• α: 90°
• β: 98.364 ± 0.003°
• γ: 90°
• Cell volume: 1029.99 ± 0.09 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0725
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No