Information card for entry 2228222

Structure parameters

• Common name: carbazole
• Chemical name: (<i>E</i>)-6-Chloro-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro- 1<i>H</i>-carbazol-1-one
• Formula: C17 H12 Cl N O2
• Calculated formula: C17 H12 Cl N O2
• SMILES: Clc1cc2c3CCC(=C\c4occc4)/C(=O)c3[nH]c2cc1
• Title of publication: (<i>E</i>)-6-Chloro-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Archana, R.; Yamuna, E.; Rajendra Prasad, K. J.; Thiruvalluvar, A.; Butcher, R. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3198
• a: 15.0985 ± 0.0002 Å
• b: 6.1553 ± 0.0001 Å
• c: 15.3887 ± 0.0002 Å
• α: 90°
• β: 104.319 ± 0.001°
• γ: 90°
• Cell volume: 1385.73 ± 0.03 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes