Information card for entry 2200877

Structure parameters

• Chemical name: 1-Acetyl-1,2-dihydro-2-oxo-3-hydroxy-3-(2-chloro-2,3- dihydrobenzofuran-3-yl)-(3H)indole
• Formula: C18 H14 Cl N O4
• Calculated formula: C18 H14 Cl N O4
• SMILES: Cl[C@H]1Oc2c([C@@H]1[C@@]1(O)c3ccccc3N(C1=O)C(=O)C)cccc2.Cl[C@@H]1Oc2c([C@H]1[C@]1(O)c3ccccc3N(C1=O)C(=O)C)cccc2
• Title of publication: 1-Acetyl-3-(2-chloro-2,3-dihydrobenzofuran-3-yl)-1,2-dihydro-3-hydroxy-2-oxo-3<i>H</i>-indole
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o37 - o39
• a: 7.8675 ± 0.0001 Å
• b: 9.0796 ± 0.0002 Å
• c: 12.4097 ± 0.0002 Å
• α: 109.541 ± 0.001°
• β: 97.227 ± 0.001°
• γ: 104.427 ± 0.001°
• Cell volume: 787.54 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.095
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes