Information card for entry 2000986

Structure parameters

• Formula: C10 H7 N O3
• Calculated formula: C10 H7 N O3
• SMILES: O=C1c2ccccc2N(C1=O)C(=O)C
• Title of publication: Structure of 1-acetylindole-2,3-dione
• Authors of publication: Zukerman-Schpector, J.; Castellano, E. E.; Pinto, A. D. C.; da Silva, J. F. M.; Barcellos, M. T. F. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 4
• Pages of publication: 760 - 762
• a: 8.892 ± 0.002 Å
• b: 5.108 ± 0.002 Å
• c: 18.573 ± 0.003 Å
• α: 90°
• β: 98.22 ± 0.02°
• γ: 90°
• Cell volume: 834.9 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No