Information card for entry 7207603

Structure parameters

• Chemical name: SF41 4-pyridyl-CONH-N=CH-4-pyridyl, succinic acid dihydrate
• Formula: C16 H20 N4 O7
• Calculated formula: C16 H20 N4 O7
• Title of publication: The effect of water molecules in stabilizing co-crystals of active pharmaceutical ingredients
• Authors of publication: Aakeröy, Christer B.; Forbes, Safiyyah; Desper, John
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 2435
• a: 4.8122 ± 0.0003 Å
• b: 8.8128 ± 0.0005 Å
• c: 11.0772 ± 0.0006 Å
• α: 75.874 ± 0.003°
• β: 80.095 ± 0.003°
• γ: 76.225 ± 0.003°
• Cell volume: 439.22 ± 0.04 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.318
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No