Information card for entry 7212761

Structure parameters

• Chemical name: AR-1c-aa-14 N-(5-bromo-2-pyridyl)-propionamide, succinic acid
• Formula: C20 H24 Br2 N4 O6
• Calculated formula: C20 H24 Br2 N4 O6
• SMILES: Brc1ccc(nc1)NC(=O)CC.Brc1ccc(nc1)NC(=O)CC.C(=O)(O)CCC(=O)O
• Title of publication: Mapping out the synthetic landscape for re-crystallization, co-crystallization and salt formation
• Authors of publication: Aakeröy, Christer B.; Rajbanshi, Arbin; Li, Z. Jane; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 4231
• a: 13.8624 ± 0.0015 Å
• b: 13.9754 ± 0.0016 Å
• c: 24.726 ± 0.003 Å
• α: 95.707 ± 0.008°
• β: 90.355 ± 0.007°
• γ: 101.437 ± 0.007°
• Cell volume: 4670.2 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.3711
• Residual factor for significantly intense reflections: 0.1567
• Weighted residual factors for significantly intense reflections: 0.3532
• Weighted residual factors for all reflections included in the refinement: 0.448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No