Information card for entry 7233412

Structure parameters

• Chemical name: N-n-butyltetrachlorophthalimide
• Formula: C12 H9 Cl4 N O2
• Calculated formula: C12 H9 Cl4 N O2
• Title of publication: Charge density distribution in the crystals of N-n-butyltetrachlorophthalimide. Atoms-In-Molecules analysis of different types of halogen interactions
• Authors of publication: Owczarzak, Agata; Dutkiewicz, Grzegorz; Kubicki, Maciej
• Journal of publication: CrystEngComm
• Year of publication: 2019
• a: 5.19987 ± 0.00006 Å
• b: 11.27107 ± 0.00012 Å
• c: 12.08308 ± 0.00011 Å
• α: 103.642 ± 0.0008°
• β: 98.8523 ± 0.0009°
• γ: 101.498 ± 0.0009°
• Cell volume: 659.199 ± 0.013 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0131
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.016
• Weighted residual factors for all reflections included in the refinement: 0.016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No