Information card for entry 2242339

Structure parameters

• Chemical name: (<i>E</i>)-2-(Furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: c12ccccc1c1CCC(=C\c3ccco3)/C(=O)c1[nH]2
• Title of publication: Crystal structure of (<i>E</i>)-2-(furan-2-ylmethylidene)-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one
• Authors of publication: Thiruvalluvar, A.; Sridharan, M.; Rajendra Prasad, K. J.; Zeller, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 59 - 61
• a: 15.353 ± 0.003 Å
• b: 6.3143 ± 0.0013 Å
• c: 26.941 ± 0.006 Å
• α: 90°
• β: 96.446 ± 0.004°
• γ: 90°
• Cell volume: 2595.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1207
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes