Information card for entry 2225260

Structure parameters

• Chemical name: 1,5-Bis[(<i>E</i>)-1-(2-hydroxyphenyl)ethylidene]thiocarbonohydrazide monohydrate
• Formula: C17 H20 N4 O3 S
• Calculated formula: C17 H20 N4 O3 S
• SMILES: S=C(N/N=C(\C)c1c(O)cccc1)N/N=C(\C)c1c(O)cccc1.O
• Title of publication: 1,5-Bis[(<i>E</i>)-1-(2-hydroxyphenyl)ethylidene]thiocarbonohydrazide monohydrate
• Authors of publication: Affan, Md. Abu; Chee, Dayang N. A.; Ahmad, Fasihuddin B.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o555
• a: 15.8654 ± 0.0003 Å
• b: 7.3938 ± 0.0001 Å
• c: 16.3697 ± 0.0003 Å
• α: 90°
• β: 115.922 ± 0.001°
• γ: 90°
• Cell volume: 1727.06 ± 0.05 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: 0.055
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes