Information card for entry 7233879

Structure parameters

• Formula: C18 H17 N5 O
• Calculated formula: C18 H17 N5 O
• Title of publication: Unusual rearrangement of imidazo[1,5-a]imidazoles and imidazo[1,2-b]pyrazoles into imidazo[1,5-a]pyrimidines and pyrazolo[1,5-a]pyrimidines
• Authors of publication: Gambouz, Khadija; Driowya, Mohsine; Loubidi, Mohammed; Tber, Zahira; Allouchi, Hassan; El Kazzouli, Saïd; Akssira, Mohamed; Guillaumet, Gérald
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 50
• Pages of publication: 29051
• a: 10.7895 ± 0.0004 Å
• b: 14.8634 ± 0.0007 Å
• c: 10.0794 ± 0.0005 Å
• α: 90°
• β: 92.246 ± 0.004°
• γ: 90°
• Cell volume: 1615.18 ± 0.13 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No