Information card for entry 2237584

Structure parameters

• Chemical name: 6-Hydroxy-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-4-one
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N O2
• SMILES: O=c1n2c3c(cccc3c(O)c1)CC2
• Title of publication: 6-Hydroxy-1,2-dihydro-4<i>H</i>-pyrrolo[3,2,1-<i>ij</i>]quinolin-4-one
• Authors of publication: Rybakov, Victor B.; Shishkina, Svitlana V.; Ukrainets, Igor V.; Gorokhova, Olga V.; Andreeva, Xeniya V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o340
• a: 7.9987 ± 0.0003 Å
• b: 7.6297 ± 0.0002 Å
• c: 14.35 ± 0.0004 Å
• α: 90°
• β: 101.386 ± 0.003°
• γ: 90°
• Cell volume: 858.51 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes