Information card for entry 2105746

Structure parameters

• Formula: C22 H26 N4 O4
• Calculated formula: C22 H26 N4 O4
• SMILES: n1ccc(cc1)/C=N/N=C/c1ccncc1.OC(=O)[C@H]1CC[C@@](C1(C)C)(C)C(=O)O
• Title of publication: Binary co-crystals of the active pharmaceutical ingredient 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene and camphoric acid
• Authors of publication: Bisht, Kamal Kumar; Patel, Priyank; Rachuri, Yadagiri; Eringathodi, Suresh
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 63 - 71
• a: 7.2598 ± 0.0011 Å
• b: 10.2744 ± 0.0015 Å
• c: 27.997 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2088.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes