Information card for entry 2238049

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl-2-(2,6-dichlorophenyl)imidazo[1,2-a]pyrazin-3-amine
• Formula: C16 H16 Cl2 N4
• Calculated formula: C16 H16 Cl2 N4
• SMILES: Clc1cccc(c1c1nc2n(c1NC(C)(C)C)ccnc2)Cl
• Title of publication: <i>N</i>-<i>tert</i>-Butyl-2-(2,6-dichlorophenyl)imidazo[1,2-a]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: 6
• Pages of publication: o949 - o950
• a: 8.1482 ± 0.0004 Å
• b: 9.8553 ± 0.0005 Å
• c: 11.5265 ± 0.0006 Å
• α: 93.218 ± 0.002°
• β: 99.32 ± 0.003°
• γ: 113.026 ± 0.002°
• Cell volume: 833.31 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes