Information card for entry 2018846

Structure parameters

• Chemical name: 10-(2-Chloroethyl)acridin-9(10<i>H</i>)-one
• Formula: C15 H12 Cl N O
• Calculated formula: C15 H12 Cl N O
• SMILES: c1cccc2c1C(=O)c1c(cccc1)N2CCCl
• Title of publication: Supramolecular networks of 10-(2-hydroxyethyl)acridin-9(10<i>H</i>)-one and 10-(2-chloroethyl)acridin-9(10<i>H</i>)-one
• Authors of publication: He, Chang-Shuai; Liu, Lu-Fang; Guo, Lei; Wu, Jian-Zhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: 289 - 292
• a: 9.3632 ± 0.0016 Å
• b: 16.449 ± 0.003 Å
• c: 8.0359 ± 0.0014 Å
• α: 90°
• β: 92.151 ± 0.002°
• γ: 90°
• Cell volume: 1236.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes