Information card for entry 7104182

Structure parameters

• Common name: resorcinol . trans-1,2-bis(4-pyridyl)ethylene 1/2 form 2
• Chemical name: resorcinol . trans-1,2-bis(4-pyridyl)ethylene 1/2 form 2
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: Oc1cc(O)ccc1.n1ccc(cc1)/C=C/c1ccncc1
• Title of publication: Engineering cocrystal and polymorph architecture via pseudoseeding.
• Authors of publication: Friscić, Tomislav; Macgillivray, Leonard R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 773 - 775
• a: 10.1465 ± 0.001 Å
• b: 7.1871 ± 0.0007 Å
• c: 20.042 ± 0.002 Å
• α: 90°
• β: 94.797 ± 0.005°
• γ: 90°
• Cell volume: 1456.4 ± 0.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No