Information card for entry 7223430

Structure parameters

• Common name: 2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Chemical name: 2-amino-4-(4-methoxyphenyl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
• Formula: C18 H19 N3 O
• Calculated formula: C18 H19 N3 O
• SMILES: c12c(c(c(c(n2)N)C#N)c2ccc(cc2)OC)CCCCC1
• Title of publication: Silver(I)-N-heterocyclic carbene catalyzed multicomponent reactions: a facile synthesis of multisubstituted pyridines
• Authors of publication: Kankala, Shravankumar; pagadala, ramakanth; Maddila, Suresh; Vasam, Chandra Sekhar; Jonnalagadda, Sreekantha Babu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.7449 ± 0.0009 Å
• b: 10.762 ± 0.0007 Å
• c: 18.2213 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3087.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No