Information card for entry 2235529

Structure parameters

• Chemical name: 6'-Amino-3'-methyl-11<i>H</i>,2'<i>H</i>- spiro[indeno[1,2-<i>b</i>]quinoxaline-11,4'-pyrano[2,3-<i>c</i>]pyrazole]- 5'-carbonitrile ethanol monosolvate
• Formula: C24 H20 N6 O2
• Calculated formula: C24 H20 N6 O2
• SMILES: c12c(c(C)[nH]n1)C1(C(=C(N)O2)C#N)c2c(c3c1cccc3)nc1c(cccc1)n2.C(C)O
• Title of publication: 6'-Amino-3'-methyl-11<i>H</i>,2'<i>H</i>-spiro[indeno[1,2-<i>b</i>]quinoxaline-11,4'-pyrano[2,3-<i>c</i>]pyrazole]-5'-carbonitrile ethanol monosolvate
• Authors of publication: Zheng, Jia; Li, Bin; Li, Yi-Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2151
• a: 14.506 ± 0.0006 Å
• b: 11.1732 ± 0.0003 Å
• c: 14.7365 ± 0.0006 Å
• α: 90°
• β: 118.859 ± 0.005°
• γ: 90°
• Cell volume: 2091.85 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes