Information card for entry 2022361

Structure parameters

• Common name: 6-Chloro-<i>N</i>'-(4-phenylpiperazine-1-carbonothioyl)picolinohydrazonamide
• Chemical name: 6-Chloro-N'-[(4-phenylpiperazin-1-yl)carbothioylamino]pyridine-2-carboximidamide
• Formula: C17 H19 Cl N6 S
• Calculated formula: C17 H19 Cl N6 S
• SMILES: S=C(N/N=C(N)/c1nc(Cl)ccc1)N1CCN(CC1)c1ccccc1
• Title of publication: Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives
• Authors of publication: Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 673 - 680
• a: 11.2996 ± 0.0003 Å
• b: 9.387 ± 0.0003 Å
• c: 18.9935 ± 0.0005 Å
• α: 90°
• β: 101.8 ± 0.001°
• γ: 90°
• Cell volume: 1972.05 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes