Information card for entry 2012594

Structure parameters

• Common name: monlow
• Formula: C9 H12 N2 O
• Calculated formula: C9 H12 N2 O
• SMILES: O=c1n(c2c(nc1)CCCC2)C
• Title of publication: 1-Methyl-5,6,7,8-tetrahydroquinoxalin-2(1<i>H</i>)-one
• Authors of publication: Zolotoy, Alexander B.; Botoshansky, Mark; Kaftory, Menahem
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o148 - o150
• a: 6.791 ± 0.001 Å
• b: 11.17 ± 0.002 Å
• c: 11.246 ± 0.002 Å
• α: 93.75 ± 0.03°
• β: 97.13 ± 0.03°
• γ: 102.56 ± 0.02°
• Cell volume: 822.4 ± 0.3 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes