Information card for entry 2232055

Structure parameters

• Chemical name: 4,4'-bipyridine‒3-(thiophen-3-yl)acrylic acid (1/2)
• Formula: C24 H20 N2 O4 S2
• Calculated formula: C24 H20 N2 O4 S2
• SMILES: c1c(ccs1)/C=C/C(=O)O.c1cc(ccn1)c1ccncc1.c1c(ccs1)/C=C/C(=O)O
• Title of publication: 4,4'-Bipyridine‒3-(thiophen-3-yl)acrylic acid (1/2)
• Authors of publication: Rajakannu, Palanisamy; Hussain, Firasat; Sathiyendiran, Malaichamy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2595
• a: 7.3454 ± 0.0005 Å
• b: 10.7319 ± 0.0008 Å
• c: 15.0196 ± 0.0011 Å
• α: 102.518 ± 0.006°
• β: 103.648 ± 0.006°
• γ: 94.892 ± 0.006°
• Cell volume: 1111.54 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes