Information card for entry 1546655

Structure parameters

• Chemical name: 9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline
• Formula: C19 H19 N3
• Calculated formula: C19 H19 N3
• SMILES: n1c([nH]c2c1cccc2)c1cc2CCCN3c2c(CCC3)c1
• Title of publication: 9-(1<i>H</i>-Benzo[<i>d</i>]imidazol-2-yl)-2,3,6,7-tetrahydro-1<i>H</i>,5<i>H</i>-pyrido[3,2,1-<i>ij</i>]quinoline
• Authors of publication: González, Gerardo García; Unnamatla, M. V. Basavanag
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170445
• a: 14.054 ± 0.0011 Å
• b: 11.2639 ± 0.0006 Å
• c: 9.6184 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1522.62 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.1539
• 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: Yes