Information card for entry 2234647

Structure parameters

• Chemical name: <i>N</i>'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide
• Formula: C12 H8 Cl2 N2 O2
• Calculated formula: C12 H8 Cl2 N2 O2
• SMILES: Clc1c(c(Cl)ccc1)/C=N/NC(=O)c1occc1
• Title of publication: <i>N</i>'-(2,6-Dichlorobenzylidene)furan-2-carbohydrazide
• Authors of publication: Xu, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1455
• a: 4.9046 ± 0.0003 Å
• b: 19.1113 ± 0.0012 Å
• c: 12.9469 ± 0.0009 Å
• α: 90°
• β: 91.565 ± 0.005°
• γ: 90°
• Cell volume: 1213.1 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0795
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes