Information card for entry 2218387

Structure parameters

• Chemical name: 1-Phenyl-6,7,8,9-hexahydro-1H,5H-cyclohepta[1',2':2,3]pyrido[6,5-c]pyrazol- 4-amine
• Formula: C17 H18 N4
• Calculated formula: C17 H18 N4
• SMILES: Nc1c2c(nc3c1CCCCC3)n(nc2)c1ccccc1
• Title of publication: 1-Phenyl-6,7,8,9-hexahydro-1<i>H</i>,5<i>H</i>-cyclohepta[1',2':2,3]pyrido[6,5-<i>c</i>]pyrazol-4-amine: a new tacrine analogue
• Authors of publication: Zhang, Lijun; Shi, Daxin; Li, Jiarong; Zhang, Ling; Fan, Yanqiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1056
• a: 13.694 ± 0.013 Å
• b: 6.888 ± 0.006 Å
• c: 16.929 ± 0.016 Å
• α: 90°
• β: 112.417 ± 0.012°
• γ: 90°
• Cell volume: 1476 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes