Information card for entry 2311166

Structure parameters

• Chemical name: 5-Fluoro-<i>N</i>'-(4-methylcyclohexylidene)-3-phenyl-1<i>H</i>-indole-2-carbohydrazide
• Formula: C22 H22 F N3 O
• Calculated formula: C22 H22 F N3 O
• SMILES: Fc1ccc2[nH]c(c(c2c1)c1ccccc1)C(=O)NN=C1CCC(CC1)C
• Title of publication: 5-Fluoro-N'-(4-methyl-cyclo-hexyl-idene)-3-phenyl-1H-indole-2-carbohydrazide.
• Authors of publication: Celikesir, Sevim Türktekin; Akkurt, Mehmet; Ustündağ, Gökçe Cihan; Capan, Gültaze; Büyükgüngör, Orhan
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 8
• Pages of publication: o1211 - 2
• a: 11.663 ± 0.0006 Å
• b: 13.532 ± 0.0007 Å
• c: 14.7754 ± 0.0008 Å
• α: 112.967 ± 0.004°
• β: 95.936 ± 0.004°
• γ: 111.385 ± 0.004°
• Cell volume: 1915.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No