Information card for entry 2016777

Structure parameters

• Chemical name: 11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline
• Formula: C14 H14 Cl N
• Calculated formula: C14 H14 Cl N
• SMILES: c1cccc2c1c(c1c(CCCCC1)n2)Cl
• Title of publication: Weak intermolecular interactions in 11-chloro-2,3,4,5-tetrahydro-1<i>H</i>-cyclohepta[<i>b</i>]quinoline
• Authors of publication: Novaković, Sladjana B.; Vitorović-Todorović, Maja D.; Bogdanović, Goran A.; Drakulić, Branko J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o502 - o504
• a: 8.213 ± 0.002 Å
• b: 8.727 ± 0.002 Å
• c: 9.042 ± 0.003 Å
• α: 90.5 ± 0.02°
• β: 95.32 ± 0.03°
• γ: 113.86 ± 0.03°
• Cell volume: 589.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes