Information card for entry 2225584

Structure parameters

• Chemical name: <i>N</i>'-(4-Bromobenzylidene)thiophene-2-carbohydrazide
• Formula: C12 H9 Br N2 O S
• Calculated formula: C12 H9 Br N2 O S
• SMILES: Brc1ccc(/C=N/NC(=O)c2sccc2)cc1
• Title of publication: <i>N</i>'-(4-Bromobenzylidene)thiophene-2-carbohydrazide
• Authors of publication: Jiang, Jin-He
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o922
• a: 6.07 ± 0.0012 Å
• b: 16.983 ± 0.003 Å
• c: 11.643 ± 0.002 Å
• α: 90°
• β: 94.85 ± 0.03°
• γ: 90°
• Cell volume: 1195.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0699
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes