Information card for entry 2237715

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine
• Formula: C18 H23 N5
• Calculated formula: C18 H23 N5
• SMILES: c1cn2c(cn1)nc(c2NC(C)(C)C)c1ccc(cc1)N(C)C
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-2-[4-(dimethylamino)phenyl]imidazo[1,2-<i>a</i>]pyrazin-3-amine
• Authors of publication: Fatima, Zeenat; Srinivasan, Thothadri; Koorathota, Suman; Thennarasu, Sathiah; Velmurugan, Devadasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o612 - o613
• a: 12.1746 ± 0.0011 Å
• b: 13.9614 ± 0.0013 Å
• c: 20.2985 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3450.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0716
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes