Information card for entry 2007136

Structure parameters

• Formula: C16 H14 N2 O S
• Calculated formula: C16 H14 N2 O S
• SMILES: s1c(/N=C/c2c(O)cccc2)c(c2c1CCCC2)C#N
• Title of publication: 2-Salicylideneamino-4,5,6,7-tetrahydrobenzo[<i>b</i>]thiophene-3-carbonitrile
• Authors of publication: Elerman, Yalc̨in; Elmali, Ayhan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 529 - 531
• a: 7.424 ± 0.004 Å
• b: 14.303 ± 0.003 Å
• c: 26.51 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2815 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0371
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for all reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.0876
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.238
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No