Information card for entry 2225585

Structure parameters

• Chemical name: <i>N</i>'-(4-Chlorobenzylidene)thiophene-2-carbohydrazide
• Formula: C12 H9 Cl N2 O S
• Calculated formula: C12 H9 Cl N2 O S
• SMILES: s1c(C(=O)N/N=C/c2ccc(Cl)cc2)ccc1
• Title of publication: <i>N</i>'-(4-Chlorobenzylidene)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: o923
• a: 6.004 ± 0.0012 Å
• b: 16.831 ± 0.003 Å
• c: 11.557 ± 0.002 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 1164.5 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes