Information card for entry 2227241

Structure parameters

• Common name: 1-(Dicyanomethylene)-2,3,4-tetrahydrocarbazole
• Chemical name: 2-(1,2,3,4-Tetrahydro-9<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Formula: C15 H11 N3
• Calculated formula: C15 H11 N3
• SMILES: [nH]1c2C(=C(C#N)C#N)CCCc2c2ccccc12
• Title of publication: 2-(1,2,3,4-Tetrahydro-9<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Authors of publication: Velmurugan, R.; Sekar, M.; Chandramohan, A.; Ramesh, P.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2965
• a: 7.7631 ± 0.001 Å
• b: 8.0003 ± 0.001 Å
• c: 9.8933 ± 0.0013 Å
• α: 87.461 ± 0.008°
• β: 82.392 ± 0.008°
• γ: 75.038 ± 0.007°
• Cell volume: 588.35 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes