Information card for entry 2014207

Structure parameters

• Chemical name: (E)-N-Benzo[b]thiophen-3-ylmethylene-N-(2,5-dichloro-phenyl)hydrazine
• Formula: C15 H10 Cl2 N2 S
• Calculated formula: C15 H10 Cl2 N2 S
• SMILES: Clc1c(N/N=C/c2csc3c2cccc3)cc(Cl)cc1
• Title of publication: (<i>E</i>)-<i>N</i>-[(Benzo[<i>b</i>]thiophen-3-yl)methylene]-<i>N</i>'-(2,5-dichlorophenyl)hydrazine
• Authors of publication: Sonar, Vijayakumar N.; Parkin, Sean; Crooks, Peter A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o550 - o551
• a: 13.2826 ± 0.0005 Å
• b: 8.7162 ± 0.0003 Å
• c: 12.7914 ± 0.0004 Å
• α: 90°
• β: 111.483 ± 0.0017°
• γ: 90°
• Cell volume: 1378.03 ± 0.08 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.1015
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes