Information card for entry 2240545

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-9-ethyl-9<i>H</i>-carbazol-3-amine
• Formula: C25 H20 Cl N3 O
• Calculated formula: C25 H20 Cl N3 O
• SMILES: Clc1nc2c(cc(OC)cc2)cc1/C=N/c1cc2c3c(n(c2cc1)CC)cccc3
• Title of publication: Crystal structure of (<i>E</i>)-<i>N</i>-[(2-chloro-6-methoxyquinolin-3-yl)methylidene]-9-ethyl-9<i>H</i>-carbazol-3-amine
• Authors of publication: Thirumurthy, Kannan; Thirunarayanan, Ganesamoorthy; Murugavel, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: 421 - 423
• a: 15.06 ± 0.003 Å
• b: 8.8231 ± 0.0015 Å
• c: 15.332 ± 0.003 Å
• α: 90°
• β: 93.344 ± 0.003°
• γ: 90°
• Cell volume: 2033.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1023
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes