Information card for entry 2226410

Structure parameters

• Common name: carbazole
• Chemical name: 2-(2,3,4,9-Tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Formula: C15 H11 N3
• Calculated formula: C15 H11 N3
• SMILES: [nH]1c2c(c3CCCC(=C(C#N)C#N)c13)cccc2
• Title of publication: 2-(2,3,4,9-Tetrahydro-1<i>H</i>-carbazol-1-ylidene)propanedinitrile
• Authors of publication: Archana, R.; Prabakaran, K.; 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: 7
• Pages of publication: o1713
• a: 8.4794 ± 0.0003 Å
• b: 10.5542 ± 0.0004 Å
• c: 13.0575 ± 0.0005 Å
• α: 90°
• β: 97.366 ± 0.003°
• γ: 90°
• Cell volume: 1158.91 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes