Information card for entry 2226473

Structure parameters

• Chemical name: 2-(6-Bromo-3-pyridyl)-8-methylimidazo[1,2-<i>a</i>]pyrazine
• Formula: C12 H9 Br N4
• Calculated formula: C12 H9 Br N4
• SMILES: Brc1ncc(cc1)c1nc2n(c1)ccnc2C
• Title of publication: 2-(6-Bromo-3-pyridyl)-8-methylimidazo[1,2-<i>a</i>]pyrazine
• Authors of publication: Huang, Buwen; Rui, Eugene; Wythes, Martin; Kung, Pei-Pei; Moore, Curtis; Rheingold, Arnold L.; Yanovsky, Alex
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1723
• a: 3.9007 ± 0.0014 Å
• b: 13.545 ± 0.005 Å
• c: 20.673 ± 0.008 Å
• α: 90°
• β: 93.059 ± 0.005°
• γ: 90°
• Cell volume: 1090.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes