Information card for entry 2022360

Structure parameters

• Common name: 6-Chloro-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide methanol monosolvate
• Chemical name: 6-Chloro-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide methanol monosolvate
• Formula: C12 H18 Cl N5 O2 S
• Calculated formula: C12 H18 Cl N5 O2 S
• SMILES: C(=S)(N/N=C(N)/c1cccc(Cl)n1)N1CCOCC1.CO
• 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: 6.8829 ± 0.0002 Å
• b: 11.8924 ± 0.0003 Å
• c: 19.0594 ± 0.0005 Å
• α: 90°
• β: 98.737 ± 0.001°
• γ: 90°
• Cell volume: 1541.99 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes