Information card for entry 2214400

Structure parameters

• Chemical name: 1-Acetyl-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazoline
• Formula: C15 H13 Br N2 O2
• Calculated formula: C15 H13 Br N2 O2
• SMILES: c1cc(ccc1C1CC(c2ccco2)N(C(=O)C)N=1)Br
• Title of publication: 1-Acetyl-3-(4-bromophenyl)-5-(2-furyl)-2-pyrazoline
• Authors of publication: Huan-Mei Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3165 - o3165
• a: 8.1417 ± 0.0017 Å
• b: 26.757 ± 0.006 Å
• c: 7.0974 ± 0.0015 Å
• α: 90°
• β: 115.587 ± 0.002°
• γ: 90°
• Cell volume: 1394.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.059
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes