Information card for entry 2207805

Structure parameters

• Chemical name: 7-Nitro-1,2,3,4-tetrahydroquinoline
• Formula: C9 H10 N2 O2
• Calculated formula: C9 H10 N2 O2
• SMILES: O=N(=O)c1cc2NCCCc2cc1
• Title of publication: 7-Nitro-1,2,3,4-tetrahydroquinoline
• Authors of publication: Jian-Ming Gu; Xiu-Rong Hu; Wei-Ming Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o62 - o63
• a: 7.985 ± 0.002 Å
• b: 10.583 ± 0.004 Å
• c: 19.79 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1672.4 ± 0.9 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes