Information card for entry 4034834

Structure parameters

• Common name: 2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile
• Chemical name: 2-Amino-4-(4-cholorophenyl)-7-diphenyl-6,7-dihydro-5H-pyrazolo [3,4-h]quinolone-3-carbonitrile
• Formula: C23 H16 Cl N5
• Calculated formula: C23 H16 Cl N5
• SMILES: c1(ccc(cc1)c1c(c(N)nc2c3c(CCc12)n(c1ccccc1)nc3)C#N)Cl
• Title of publication: Four-Component Domino Synthesis of Pyrazolo[3,4- h]quinoline-3-carbonitriles: "Turn-Off" Fluorescent Chemosensor for Fe³⁺ Ions.
• Authors of publication: Shylaja, Adaikalam; Roja, Somi Santharam; Priya, Rakkappan Vishnu; Kumar, Raju Ranjith
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 22
• Pages of publication: 14084 - 14090
• a: 10.4367 ± 0.0003 Å
• b: 10.9382 ± 0.0003 Å
• c: 17.4996 ± 0.0005 Å
• α: 95.746 ± 0.001°
• β: 94.601 ± 0.001°
• γ: 93.95 ± 0.001°
• Cell volume: 1975.32 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0836
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.434
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No