Information card for entry 7209550

Structure parameters

• Common name: 4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime
• Chemical name: 4,4'-AzoPy 8HBXB (4-pyridyl)-N=N-(4-pyridyl), 4-I-F4-PhCHO oxime
• Formula: C17 H10 F4 I N5 O
• Calculated formula: C17 H10 F4 I N5 O
• Title of publication: Competing hydrogen-bond and halogen-bond donors in crystal engineering
• Authors of publication: Aakeröy, Christer B.; Panikkattu, Sheelu; Chopade, Prashant D.; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 16
• Pages of publication: 3125
• a: 17.6282 ± 0.0007 Å
• b: 6.3167 ± 0.0003 Å
• c: 31.7318 ± 0.0014 Å
• α: 90°
• β: 96.518 ± 0.002°
• γ: 90°
• Cell volume: 3510.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No