Information card for entry 2312720

Structure parameters

• Chemical name: 4-(4-Phenylpiperazin-1-yl)-<i>N</i>'-(pyrrolidine-1-carbonothioyl)picolinohydrazonamide
• Formula: C21 H27 N7 S
• Calculated formula: C21 H27 N7 S
• Title of publication: Synthesis, structure and biological activity of new picolinohydrazonamide derivatives.
• Authors of publication: Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2025
• Journal volume: 81
• Journal issue: 1
• a: 10.6953 ± 0.0002 Å
• b: 12.8703 ± 0.0003 Å
• c: 15.4917 ± 0.0003 Å
• α: 95.157 ± 0.0017°
• β: 107.466 ± 0.002°
• γ: 97.8737 ± 0.0018°
• Cell volume: 1995.51 ± 0.08 ų
• Cell temperature: 99.9 ± 0.4 K
• Ambient diffraction temperature: 99.9 ± 0.4 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes