Information card for entry 2224886

Structure parameters

• Chemical name: 1-(1-Hydroxy-9<i>H</i>-carbazol-2-yl)-3-methylbut-2-en-1-one
• Formula: C17 H15 N O2
• Calculated formula: C17 H15 N O2
• SMILES: c12ccccc1c1c(c(c(cc1)C(=O)C=C(C)C)O)[nH]2
• Title of publication: 1-(1-Hydroxy-9<i>H</i>-carbazol-2-yl)-3-methylbut-2-en-1-one
• Authors of publication: Zeller, Matthias; Sridharan, Makuteswaran; Rajendra Prasad, Karnam J.; Ngendahimana, Aimable
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o297 - o298
• a: 6.3416 ± 0.0009 Å
• b: 15.202 ± 0.002 Å
• c: 15.462 ± 0.003 Å
• α: 115.216 ± 0.005°
• β: 95.042 ± 0.005°
• γ: 101.922 ± 0.004°
• Cell volume: 1293.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes