Information card for entry 2242892

Structure parameters

• Chemical name: (<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide
• Formula: C10 H13 N3 O S
• Calculated formula: C10 H13 N3 O S
• SMILES: S=C(N/N=C/c1cccc(c1O)C)NC
• Title of publication: (<i>E</i>)-2-(2-Hydroxy-3-methylbenzylidene)-<i>N</i>-methylhydrazine-1-carbothioamide: supramolecular assemblies in two-dimensions mediated by N—H···S and C—H···π interactions
• Authors of publication: Arafath, Md. Azharul; Kwong, Huey Chong; Adam, Farook
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 571 - 575
• a: 14.6474 ± 0.0014 Å
• b: 17.522 ± 0.002 Å
• c: 8.9048 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2285.4 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes