Information card for entry 2227497

Structure parameters

• Chemical name: <i>N</i>-(3-Methylphenyl)quinoxalin-2-amine monohydrate
• Formula: C15 H15 N3 O
• Calculated formula: C15 H15 N3 O
• SMILES: O.N(c1cccc(c1)C)c1nc2c(nc1)cccc2
• Title of publication: <i>N</i>-(3-Methylphenyl)quinoxalin-2-amine monohydrate
• Authors of publication: Idris, Azila; Abdullah, Zanariah; Ariffin, Azahar; Fairuz, Zainal A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2276
• a: 10.9002 ± 0.0008 Å
• b: 11.1048 ± 0.0008 Å
• c: 11.1715 ± 0.0008 Å
• α: 90°
• β: 106.78 ± 0.001°
• γ: 90°
• Cell volume: 1294.67 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes