Information card for entry 2009820

Structure parameters

• Formula: C16 H10 Cl F N2 O2 S
• Calculated formula: C16 H10 Cl F N2 O2 S
• SMILES: Clc1ccc2NC(=O)C3(SCC(=O)N3c3ccc(F)cc3)c2c1
• Title of publication: A spiro-indole derivative, C~16~H~10~ClFN~2~O~2~S
• Authors of publication: Sehgal, V.; Singh, P.; Dandia, A.; Bohra, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1156 - 1159
• a: 12.252 ± 0.001 Å
• b: 8.158 ± 0.003 Å
• c: 15.388 ± 0.002 Å
• α: 90°
• β: 95.79 ± 0.08°
• γ: 90°
• Cell volume: 1530.2 ± 0.6 ų
• Cell temperature: 295 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.045
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No