Information card for entry 2241162

Structure parameters

• Chemical name: 2-[(2-(Hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide
• Formula: C16 H16 N4 O S
• Calculated formula: C16 H16 N4 O S
• SMILES: S=C(Nc1ccccc1)N/N=C(/C(=N/O)C)\c1ccccc1
• Title of publication: Crystal structure of 2-[(2-(hydroxyimino)-1-phenylpropylidene]-<i>N</i>-phenyl]hydrazinecarbothioamide
• Authors of publication: Anderson, Brian J.; Freedman, Michael B.; Millikan, Sean P.; Smolenski, Victoria A.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o796 - o797
• a: 5.4955 ± 0.0006 Å
• b: 27.973 ± 0.002 Å
• c: 10.4175 ± 0.0009 Å
• α: 90°
• β: 92.444 ± 0.009°
• γ: 90°
• Cell volume: 1600 ± 0.3 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: 0.0884
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes