Information card for entry 2226813

Structure parameters

• Chemical name: 4-Allyl-6-bromo-2-phenyl-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine monohydrate
• Formula: C15 H14 Br N3 O
• Calculated formula: C15 H14 Br N3 O
• SMILES: C=CCn1cc(Br)cc2c1nc(n2)c1ccccc1.O
• Title of publication: 4-Allyl-6-bromo-2-phenyl-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine monohydrate
• Authors of publication: Ouzidan, Younès; Rodi, Youssef Kandri; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1903
• a: 7.4363 ± 0.0001 Å
• b: 9.4238 ± 0.0001 Å
• c: 11.0829 ± 0.0002 Å
• α: 68.076 ± 0.001°
• β: 74.637 ± 0.001°
• γ: 79.736 ± 0.001°
• Cell volume: 692.022 ± 0.018 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes