Information card for entry 2237918

Structure parameters

• Chemical name: 9-(2-Chlorobenzylidene)anthracen-10(9<i>H</i>)-one
• Formula: C21 H13 Cl O
• Calculated formula: C21 H13 Cl O
• SMILES: Clc1ccccc1C=C1c2ccccc2C(=O)c2c1cccc2
• Title of publication: 9-(2-Chlorobenzylidene)anthracen-10(9<i>H</i>)-one
• Authors of publication: Almansour, Abdulrahman I.; Arumugam, Natarajan; Kumar, Raju Suresh; Vijayalakshmi, P.; Suresh, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o627
• a: 7.9106 ± 0.001 Å
• b: 8.3598 ± 0.001 Å
• c: 12.6906 ± 0.0015 Å
• α: 82.813 ± 0.007°
• β: 83.979 ± 0.007°
• γ: 67.741 ± 0.006°
• Cell volume: 769.09 ± 0.17 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: 0.0517
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes