Information card for entry 2233580

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(4-chlorobutanamide)
• Formula: C14 H18 Cl2 N2 O2
• Calculated formula: C14 H18 Cl2 N2 O2
• SMILES: ClCCCC(=O)Nc1ccc(cc1)NC(=O)CCCCl
• Title of publication: <i>N</i>,<i>N</i>'-(1,4-Phenylene)bis(4-chlorobutanamide)
• Authors of publication: Cuzan, Olesea; Shova, Sergiu; Turta, Constantin; Mangalagiu, Ionel I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o463
• a: 5.105 ± 0.005 Å
• b: 6.876 ± 0.005 Å
• c: 10.549 ± 0.005 Å
• α: 97.735 ± 0.005°
• β: 93.214 ± 0.005°
• γ: 90.512 ± 0.005°
• Cell volume: 366.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes