Information card for entry 2225019

Structure parameters

• Chemical name: 5-Chlorobenzothiazole-2-spiro-3'-indolin-2'-one
• Formula: C14 H9 Cl N2 O S
• Calculated formula: C14 H9 Cl N2 O S
• SMILES: Clc1ccc2SC3(Nc2c1)c1c(NC3=O)cccc1
• Title of publication: 5-Chlorobenzothiazole-2-spiro-3'-indolin-2'-one
• Authors of publication: Akkurt, Mehmet; Karaca, Selvi; Ermut, Görkem; Karalı, Nilgün; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o399 - o400
• a: 12.8421 ± 0.0006 Å
• b: 9.1159 ± 0.0003 Å
• c: 22.1553 ± 0.0009 Å
• α: 90°
• β: 97.051 ± 0.003°
• γ: 90°
• Cell volume: 2574.05 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0803
• 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