Information card for entry 2229993

Structure parameters

• Chemical name: 2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate
• Formula: C14.5 H15.5 N4.5 O1.5 S
• Calculated formula: C14.5 H15.5 N4.5 O1.5 S
• SMILES: S=C(Nc1ccccc1)NNC(=O)c1ccncc1.O=CN(C)C
• Title of publication: 2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate
• Authors of publication: Zhao, Pei-Hua; Jiang, Shao-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1081
• a: 9.901 ± 0.003 Å
• b: 16.583 ± 0.005 Å
• c: 18.61 ± 0.005 Å
• α: 99.35 ± 0.006°
• β: 91.831 ± 0.006°
• γ: 96.454 ± 0.004°
• Cell volume: 2991.9 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes