Information card for entry 7233428

Structure parameters

• Chemical name: 4-amino-3,5-dichloro-2,6-difluoropyridine 18-crown-6, associate 2:1
• Formula: C22 H28 Cl4 F4 N4 O6
• Calculated formula: C22 H28 Cl4 F4 N4 O6
• Title of publication: Impact of molecular packing rearrangement on solid-state fluorescence: polyhalogenated N-hetarylamines vs. their co-crystals with 18-crown-6
• Authors of publication: Vaganova, Tamara A.; Gatilov, Yurij V.; Benassi, Enrico; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 39
• Pages of publication: 5931
• a: 19.2435 ± 0.0008 Å
• b: 9.9058 ± 0.0004 Å
• c: 17.6406 ± 0.0008 Å
• α: 90°
• β: 119.63 ± 0.002°
• γ: 90°
• Cell volume: 2923 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No