Information card for entry 2200459

Structure parameters

• Formula: C16 H22 N2
• Calculated formula: C16 H22 N2
• SMILES: C(N)[C@@H](CC)[C@H]1CCc2c([nH]c3c2cccc3)C1.C(N)[C@H](CC)[C@@H]1CCc2c([nH]c3c2cccc3)C1
• Title of publication: 2-(1,2,3,4-Tetrahydrocarbazol-2-yl)butylamine
• Authors of publication: Hökelek, Tuncer; Patır, Süleyman; Ergün, Yavuz; Okay, Gürol
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o568 - o570
• a: 7.9665 ± 0.001 Å
• b: 8.911 ± 0.01 Å
• c: 10.7318 ± 0.001 Å
• α: 69.59 ± 0.06°
• β: 75.783 ± 0.01°
• γ: 80.87 ± 0.08°
• Cell volume: 689.9 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0883
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes