Information card for entry 2236812

Structure parameters

• Chemical name: 2,3-Dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carbonitrile
• Formula: C12 H10 N2
• Calculated formula: C12 H10 N2
• SMILES: C1CCc2c(c3ccccc3n12)C#N
• Title of publication: 2,3-Dihydro-1<i>H</i>-pyrrolo[1,2-<i>a</i>]indole-9-carbonitrile
• Authors of publication: Madeley, Lee G.; Lemmerer, Andreas; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3306
• a: 9.1383 ± 0.0003 Å
• b: 9.534 ± 0.0003 Å
• c: 12.3138 ± 0.0004 Å
• α: 90.794 ± 0.002°
• β: 90.528 ± 0.002°
• γ: 116.272 ± 0.002°
• Cell volume: 961.78 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes