Information card for entry 2311122

Structure parameters

• Common name: carbazole
• Chemical name: (<i>E</i>)-2-[(Furan-2-yl)methylidene]-7-methyl-2,3,4,9- tetrahydro-1<i>H</i>-carbazol-1-one
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C1C(=C\c2occc2)\CCc2c3ccc(cc3[nH]c12)C
• Title of publication: (E)-2-[(Furan-2-yl)methyl-idene]-7-methyl-2,3,4,9-tetra-hydro-1H-carbazol-1-one.
• Authors of publication: Thiruvalluvar, A.; Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Butcher, R. J.; Gupta, Sushil K.; Oztürk Yildirim, Sema
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 2
• Pages of publication: o150
• a: 6.3925 ± 0.0003 Å
• b: 7.988 ± 0.0004 Å
• c: 13.8629 ± 0.0008 Å
• α: 83.151 ± 0.005°
• β: 81.649 ± 0.004°
• γ: 78.921 ± 0.004°
• Cell volume: 684.28 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0527
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No