Information card for entry 7202412

Structure parameters

• Chemical name: 2-(4-pyridyl)benzimidazole, 1,4-diiodotetrafluorobenzene, methanol
• Formula: C19 H13 F4 I2 N3 O
• Calculated formula: C19 H13 F4 I2 N3 O
• SMILES: CO.[nH]1c(nc2ccccc12)c1ccncc1.c1(I)c(F)c(F)c(I)c(F)c1F
• 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: 9.0808 ± 0.0007 Å
• b: 16.3144 ± 0.0012 Å
• c: 13.6934 ± 0.0009 Å
• α: 90°
• β: 91.057 ± 0.004°
• γ: 90°
• Cell volume: 2028.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No