Information card for entry 7202410

Structure parameters

• Chemical name: bis{N-[(3-pyridyl)methyl]acetamide}, 1,4-diiodotetrafluorobenzene
• Formula: C22 H20 F4 I2 N4 O2
• Calculated formula: C22 H20 F4 I2 N4 O2
• SMILES: Ic1c(F)c(c(I)c(c1F)F)F.c1cc(ccn1)CNC(=O)C.c1cc(ccn1)CNC(=O)C
• Title of publication: Ten years of co-crystal synthesis; the good, the bad, and the ugly
• Authors of publication: Aakeröy, Christer B.; Desper, John; Fasulo, Meg; Hussain, Izhar; Levin, Brock; Schultheiss, Nate
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 12
• Pages of publication: 1816
• a: 4.845 ± 0.002 Å
• b: 9.716 ± 0.004 Å
• c: 13.075 ± 0.006 Å
• α: 104.096 ± 0.006°
• β: 98.36 ± 0.006°
• γ: 91.246 ± 0.006°
• Cell volume: 589.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No