Information card for entry 2236163

Structure parameters

• Chemical name: <i>N</i>-Ethyl-2-[1-(2-hydroxy-6- methoxyphenyl)ethylidene]hydrazinecarbothioamide
• Formula: C12 H17 N3 O2 S
• Calculated formula: C12 H17 N3 O2 S
• SMILES: S=C(NCC)N/N=C(\c1c(OC)cccc1O)C
• Title of publication: <i>N</i>-Ethyl-2-[1-(2-hydroxy-6-methoxyphenyl)ethylidene]hydrazinecarbothioamide
• Authors of publication: Anderson, Brian J.; Kennedy, Christopher J.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2982
• a: 8.5681 ± 0.0006 Å
• b: 8.0393 ± 0.0005 Å
• c: 10.3808 ± 0.0008 Å
• α: 90°
• β: 103.51 ± 0.007°
• γ: 90°
• Cell volume: 695.26 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes