Information card for entry 2235390

Structure parameters

• Chemical name: 6-[(2-Hydroxyethyl)amino]-7<i>H</i>-dibenzo[<i>de</i>,<i>h</i>]quinolin-7-one
• Formula: C18 H14 N2 O2
• Calculated formula: C18 H14 N2 O2
• SMILES: n1c2c3ccccc3C(=O)c3c(NCCO)ccc(cc1)c23
• Title of publication: 6-[(2-Hydroxyethyl)amino]-7<i>H</i>-dibenzo[<i>de</i>,<i>h</i>]quinolin-7-one
• Authors of publication: Tang, Huang; Wang, Zhi-Yu; Liu, Yan-Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2004
• a: 9.8047 ± 0.0016 Å
• b: 12.865 ± 0.002 Å
• c: 10.7623 ± 0.0017 Å
• α: 90°
• β: 100.113 ± 0.002°
• γ: 90°
• Cell volume: 1336.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• 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
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes