Information card for entry 2007246

Structure parameters

• Chemical name: 10-Chloro-6,7-dihydro-5H benzo[6,7]cyclohepta[1,2-b]quinoline
• Formula: C18 H14 Cl N
• Calculated formula: C18 H14 Cl N
• SMILES: Clc1ccc2nc3c4ccccc4CCCc3cc2c1
• Title of publication: 10-Chloro-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline and 10-Methyl-6,7-dihydro-5<i>H</i>-benzo[6,7]cyclohepta[1,2-<i>b</i>]quinoline
• Authors of publication: Jayanta Kumar Ray; Tapan Kumar Mahato; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 641 - 643
• a: 8.873 ± 0.001 Å
• b: 12.921 ± 0.001 Å
• c: 24.812 ± 0.003 Å
• α: 90°
• β: 100.16 ± 0.01°
• γ: 90°
• Cell volume: 2800 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.0871
• Goodness-of-fit parameter for all reflections: 0.798
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No