Information card for entry 2241141

Structure parameters

• Chemical name: 2-(4-Chlorobenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C17 H13 Cl O
• Calculated formula: C17 H13 Cl O
• SMILES: Clc1ccc(/C=C2/C(=O)c3ccccc3CC2)cc1
• Title of publication: Crystal structure of (<i>E</i>)-2-(4-chlorobenzylidene)-3,4-dihydronaphthalen-1(2<i>H</i>)-one: a second monoclinic polymorph
• Authors of publication: Haroon, Muhammad; Akhtar, Tashfeen; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o741 - o742
• a: 13.3791 ± 0.0008 Å
• b: 14.9352 ± 0.001 Å
• c: 6.7849 ± 0.0003 Å
• α: 90°
• β: 93.968 ± 0.003°
• γ: 90°
• Cell volume: 1352.51 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes