Information card for entry 2233799

Structure parameters

• Chemical name: 5-Amino-4-bromo-2,3-dihydro-1<i>H</i>-inden-1-one
• Formula: C9 H8 Br N O
• Calculated formula: C9 H8 Br N O
• SMILES: Brc1c(N)ccc2c1CCC2=O
• Title of publication: 5-Amino-4-bromo-2,3-dihydro-1<i>H</i>-inden-1-one
• Authors of publication: Çelik, Ísmail; Akkurt, Mehmet; Yılmaz, Makbule; Tutar, Ahmet; Erenler, Ramazan; García-Granda, Santiago
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o833
• a: 12.6362 ± 0.0004 Å
• b: 8.3655 ± 0.0002 Å
• c: 17.4913 ± 0.0005 Å
• α: 90°
• β: 113.128 ± 0.004°
• γ: 90°
• Cell volume: 1700.37 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes