Information card for entry 2238365

Structure parameters

• Chemical name: 2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-methylhydrazinecarbothioamide
• Formula: C11 H15 N3 O2 S
• Calculated formula: C11 H15 N3 O2 S
• SMILES: CNC(=S)N/N=C(/c1ccc(cc1O)OC)C
• Title of publication: 2-[1-(2-Hydroxy-4-methoxyphenyl)ethylidene]-<i>N</i>-methylhydrazinecarbothioamide
• Authors of publication: Anderson, Brian J.; Freedman, Michael B.; Millikan, Sean P.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1315
• a: 10.9881 ± 0.0008 Å
• b: 9.1468 ± 0.0006 Å
• c: 12.5575 ± 0.0009 Å
• α: 90°
• β: 109.4 ± 0.008°
• γ: 90°
• Cell volume: 1190.44 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes