Information card for entry 7154547

Structure parameters

• Common name: 4-aminoquinoline
• Chemical name: dimethyl 4-(benzylamino)quinoline-2,3-dicarboxylate
• Formula: C20 H18 N2 O4
• Calculated formula: C20 H18 N2 O4
• SMILES: O(C(=O)c1c(c2c(nc1C(=O)OC)cccc2)NCc1ccccc1)C
• Title of publication: A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.
• Authors of publication: Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 7614 - 7618
• a: 19.3579 ± 0.0011 Å
• b: 10.6509 ± 0.0006 Å
• c: 16.8297 ± 0.0014 Å
• α: 90°
• β: 94.958 ± 0.007°
• γ: 90°
• Cell volume: 3456.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No