Information card for entry 2215347

Structure parameters

• Chemical name: (<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide
• Formula: C12 H9 Br N2 O S
• Calculated formula: C12 H9 Br N2 O S
• SMILES: Brc1ccc(C(=O)N/N=C/c2sccc2)cc1
• Title of publication: (<i>E</i>)-4-Bromo-<i>N</i>'-(2-thienylmethylene)benzohydrazide
• Authors of publication: Jing, Zuo-Liang; Yu, Ming; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3925 - o3925
• a: 12.807 ± 0.006 Å
• b: 7.803 ± 0.004 Å
• c: 24.734 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2472 ± 2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes