Information card for entry 2014599

Structure parameters

• Chemical name: 9-(2-chloroethylamino)acridine monohydrate
• Formula: C15 H15 Cl N2 O
• Calculated formula: C15 H15 Cl N2 O
• SMILES: c1cccc2nc3ccccc3c(c12)NCCCl.O
• Title of publication: 9-(2-Chloroethylamino)acridine monohydrate and its precursor 9-phenoxyacridine
• Authors of publication: Youssif Ebead; Artur Sikorski; Karol Krzymiński; Lis, Tadeusz; Jerzy Błażejowski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o85 - o87
• a: 14.052 ± 0.003 Å
• b: 11.33 ± 0.002 Å
• c: 17.283 ± 0.003 Å
• α: 90°
• β: 107.2 ± 0.03°
• γ: 90°
• Cell volume: 2628.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes