Information card for entry 4033033

Structure parameters

• Chemical name: 2-(4-(benzylamino)furo[2,3-c]pyridazin-6-yl)ethan-1-ol
• Formula: C15 H15 N3 O2
• Calculated formula: C15 H15 N3 O2
• SMILES: n1ncc(c2cc(oc12)CCO)NCc1ccccc1
• Title of publication: Synthesis of Furo[2,3-c]pyridazines via Tandem Transition-Metal Catalysis.
• Authors of publication: Ganley, Jacob M.; Waller, David L.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12740 - 12745
• a: 10.2518 ± 0.0003 Å
• b: 11.019 ± 0.0003 Å
• c: 11.4871 ± 0.0003 Å
• α: 84.87 ± 0.001°
• β: 86.994 ± 0.001°
• γ: 86.549 ± 0.001°
• Cell volume: 1288.65 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No