Information card for entry 2243124

Structure parameters

• Chemical name: <i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-\ amine
• Formula: C19 H19 N3
• Calculated formula: C19 H19 N3
• SMILES: n1c2n(cccc2)c(NC(C)(C)C)c1C#Cc1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>-(<i>tert</i>-butyl)-2-(phenylethynyl)imidazo[1,2-<i>a</i>]pyridin-3-amine
• Authors of publication: Tber, Zahira; Kansiz, Sevgi; El Hafi, Mohamed; Loubidi, Mohamed; Jouha, Jabrane; Dege, Necmi; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 10
• Pages of publication: 1564 - 1567
• a: 9.3492 ± 0.0002 Å
• b: 16.3716 ± 0.0003 Å
• c: 10.803 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1653.52 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes