Information card for entry 2204772

Structure parameters

• Chemical name: N-[(9E)-2-Chloro-9-thia-9H-xanthen-9-ylidene]-N-(4-fluorophenyl)amine
• Formula: C19 H11 Cl F N S
• Calculated formula: C19 H11 Cl F N S
• SMILES: Clc1ccc2Sc3ccccc3C(=N/c3ccc(F)cc3)\c2c1
• Title of publication: <i>N</i>-[(9<i>E</i>)-2-Chloro-9-thia-9<i>H</i>-xanthen-9-ylidene]-<i>N</i>-(4-fluorophenyl)amine
• Authors of publication: Chopra, Deepak; Nagarajan, K.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2408 - o2409
• a: 20.052 ± 0.004 Å
• b: 10.3835 ± 0.0019 Å
• c: 7.5229 ± 0.0014 Å
• α: 90°
• β: 99.375 ± 0.003°
• γ: 90°
• Cell volume: 1545.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.135
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2175
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes