Information card for entry 7205188

Structure parameters

• Common name: 1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride
• Chemical name: 1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride
• Formula: C24 H34 Cl2 N4 O7
• Calculated formula: C24 H34 Cl2 N4 O7
• SMILES: c1cc(cc[n+]1CC(=O)N)/C=C/c1ccc(/C=C/c2cc[n+](cc2)CC(=O)N)cc1.O.[Cl-].O.O.O.O.[Cl-]
• Title of publication: Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues
• Authors of publication: Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1373
• a: 19.0114 ± 0.0011 Å
• b: 4.9005 ± 0.0004 Å
• c: 31.062 ± 0.002 Å
• α: 90°
• β: 103.635 ± 0.005°
• γ: 90°
• Cell volume: 2812.3 ± 0.3 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: 0.1039
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No