Information card for entry 2215811

Structure parameters

• Chemical name: 1,2,3,4-Tetrahydroquinolin-7-amine
• Formula: C9 H12 N2
• Calculated formula: C9 H12 N2
• SMILES: N1CCCc2c1cc(N)cc2
• Title of publication: 1,2,3,4-Tetrahydroquinolin-7-amine
• Authors of publication: Yan, Fan-Yong; Liu, Dong-Qing; Cao, Xiao-Hui; Yan, Xi-Long; Wang, Jin-Peng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4455 - o4455
• a: 8.7642 ± 0.0015 Å
• b: 8.7401 ± 0.0014 Å
• c: 11.0393 ± 0.0018 Å
• α: 90°
• β: 106.459 ± 0.007°
• γ: 90°
• Cell volume: 811 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes