Information card for entry 7249098

Structure parameters

• Chemical name: Co-crystal of 2,4-diaminotrifluoropyridine and 15-crown-5, 1:1
• Formula: C15 H24 F3 N3 O5
• Calculated formula: C15 H24 F3 N3 O5
• Title of publication: Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers
• Authors of publication: Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 34
• Pages of publication: 4602 - 4616
• a: 24.7949 ± 0.0015 Å
• b: 8.4611 ± 0.0004 Å
• c: 17.9811 ± 0.001 Å
• α: 90°
• β: 91.929 ± 0.003°
• γ: 90°
• Cell volume: 3770.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No