Information card for entry 4512412

Structure parameters

• Formula: C38 H32 Cl2 N4 O4
• Calculated formula: C38 H32 Cl2 N4 O4
• SMILES: c1cc(ccn1)c1ccncc1.N(c1c(cccc1)C(=O)O)c1cccc(c1C)Cl.N(c1c(cccc1)C(=O)O)c1cccc(c1C)Cl
• Title of publication: Fenamate Cocrystals with 4,4′-Bipyridine: Structural and Thermodynamic Aspects
• Authors of publication: Surov, Artem O.; Simagina, Anna A.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 228
• a: 4.7315 ± 0.0012 Å
• b: 45.263 ± 0.012 Å
• c: 7.929 ± 0.002 Å
• α: 90°
• β: 106.911 ± 0.003°
• γ: 90°
• Cell volume: 1624.7 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No