Information card for entry 7056063

Structure parameters

• Chemical name: 5-bromo-N-(3,4-dimethoxyphenethyl)-2-(2,3,6,7-tetrahydro-1H,5H-pyrido[3,2,1-ij]quinolin-9-yl)imidazo[1,2-a]pyridin-3-amine
• Formula: C29 H31 Br N4 O2
• Calculated formula: C29 H31 Br N4 O2
• SMILES: n12c(c(nc1cccc2Br)c1cc2c3N(CCC2)CCCc3c1)NCCc1cc(OC)c(OC)cc1
• Title of publication: Synthesis of 2-julolidin-imidazo[1,2-a]pyridines via Groebke‒Blackburn‒Bienaymé reaction and studies of optical properties
• Authors of publication: Basavanag, Unnamatla M. V.; Islas-Jácome, Alejandro; Rentería-Gómez, Angel; Conejo, Alaín S.; Kurva, Mahanandaiah; Jiménez-Halla, J. Oscar C.; Velusamy, Jayaramakrishnan; Ramos-Ortíz, Gabriel; Gámez-Montaño, Rocío
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 9
• Pages of publication: 3450
• a: 9.1099 ± 0.0018 Å
• b: 11.433 ± 0.002 Å
• c: 13.749 ± 0.003 Å
• α: 104.98 ± 0.03°
• β: 103.14 ± 0.03°
• γ: 109.24 ± 0.03°
• Cell volume: 1227 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No