Information card for entry 7224309

Structure parameters

• Common name: CS1-4FBA
• Chemical name: 3-(4-fluorobenzyl)-4-(1H-indol-3-yl)-3,4-dihydroquinazolin-2(1H)-one
• Formula: C23 H18 F N3 O
• Calculated formula: C23 H18 F N3 O
• SMILES: Fc1ccc(CN2C(=O)Nc3ccccc3C2c2c3ccccc3[nH]c2)cc1
• Title of publication: Hydrophobically directed, catalyst-free, multi-component synthesis of functionalized 3, 4-dihydroquinazolin-2(1H)-ones
• Authors of publication: Daggupati, Ramana Venkata; Botla, Vinayak; kumar, V Dileep; USN, Murthy; Chowhan, Raju; Malapaka, Chandrasekharam
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.0737 ± 0.0006 Å
• b: 18.081 ± 0.0011 Å
• c: 12.2682 ± 0.0007 Å
• α: 90°
• β: 111.185 ± 0.004°
• γ: 90°
• Cell volume: 1876.7 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No