Information card for entry 2231186

Structure parameters

• Chemical name: (1<i>E</i>,5<i>E</i>)-1,5-bis(2-hydroxybenzylidene)thiocarbonohydrazide
• Formula: C15 H14 N4 O2 S
• Calculated formula: C15 H14 N4 O2 S
• SMILES: S=C(N/N=C/c1c(O)cccc1)N/N=C/c1c(O)cccc1
• Title of publication: A monoclinic polymorph of (1<i>E</i>,5<i>E</i>)-1,5-bis(2-hydroxybenzylidene)thiocarbonohydrazide
• Authors of publication: Schmitt, Bonell; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2206 - o2207
• a: 5.602 ± 0.0001 Å
• b: 7.426 ± 0.0002 Å
• c: 34.522 ± 0.0008 Å
• α: 90°
• β: 91.225 ± 0.001°
• γ: 90°
• Cell volume: 1435.8 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes