Information card for entry 2213498

Structure parameters

• Chemical name: 1,2,3,4-Tetrahydroquinoxaline
• Formula: C8 H10 N2
• Calculated formula: C8 H10 N2
• SMILES: N1CCNc2ccccc12
• Title of publication: 1,2,3,4-Tetrahydroquinoxaline
• Authors of publication: Pike, Robert D.; Dugan, Emily C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2772 - o2773
• a: 9.8609 ± 0.0002 Å
• b: 8.4986 ± 0.0002 Å
• c: 16.9639 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1421.64 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes