Information card for entry 2218137

Structure parameters

• Chemical name: (<i>E</i>)-3,4-Dihydroxybenzaldehyde 4-ethylthiosemicarbazone
• Formula: C10 H13 N3 O2 S
• Calculated formula: C10 H13 N3 O2 S
• Title of publication: (<i>E</i>)-3,4-Dihydroxybenzaldehyde 4-ethylthiosemicarbazone
• Authors of publication: Kayed, Safa'a Fares; Farina, Yang; Baba, Ibrahim; Simpson, Jim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o824 - o825
• a: 10.6549 ± 0.0012 Å
• b: 12.902 ± 0.0016 Å
• c: 8.6375 ± 0.0011 Å
• α: 90°
• β: 107.91 ± 0.004°
• γ: 90°
• Cell volume: 1129.9 ± 0.2 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.0801
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes