Information card for entry 2011460

Structure parameters

• Common name: organofluorine derivative
• Chemical name: N-arylenamine-3-chloro-4-fluoroaniline
• Formula: C13 H9 Cl F N
• Calculated formula: C13 H9 Cl F N
• SMILES: Clc1cc(/N=C/c2ccccc2)ccc1F
• Title of publication: (<i>E</i>)-<i>N</i>-Benzylidene-3-chloro-4-fluoroaniline
• Authors of publication: Arjuna Gowda, K. V.; Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e481 - e482
• a: 5.7874 ± 0.0007 Å
• b: 7.5327 ± 0.0007 Å
• c: 25.3418 ± 0.0019 Å
• α: 90°
• β: 94.227 ± 0.008°
• γ: 90°
• Cell volume: 1101.76 ± 0.19 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: 0.041
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No