Information card for entry 2243262

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-4-ylmethyl)ethanediamide‒4-chlorobenzoic acid (1/2)
• Formula: C28 H24 Cl2 N4 O6
• Calculated formula: C28 H24 Cl2 N4 O6
• Title of publication: Crystal structure, Hirshfeld surface analysis and computational study of the 1:2 co-crystal formed between <i>N</i>,<i>N</i>'-bis(pyridin-4-ylmethyl)ethanediamide and 4-chlorobenzoic acid
• Authors of publication: Tan, Sang Loon; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 2
• Pages of publication: 245 - 253
• a: 9.9401 ± 0.0002 Å
• b: 11.2002 ± 0.0002 Å
• c: 12.3308 ± 0.0003 Å
• α: 78.871 ± 0.002°
• β: 78.816 ± 0.002°
• γ: 81.992 ± 0.002°
• Cell volume: 1313.98 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes