Information card for entry 2311902

Structure parameters

• Common name: 2,6-Diaminopyridine‒piracetam (1/1)
• Chemical name: 2,6-Diaminopyridine‒2-(2-oxopyrrolidin-1-yl)acetamide (1/1)
• Formula: C11 H17 N5 O2
• Calculated formula: C11 H17 N5 O2
• SMILES: c1(cccc(n1)N)N.C1(=O)CCCN1CC(=O)N
• Title of publication: Crystal structure of pharmaceutical cocrystals of 2,6-diaminopyridine with piracetam and theophylline.
• Authors of publication: Durán-Palma, Melissa Hidekel; Mendoza-Barraza, Sonia Sanet; Magaña-Vergara, Nancy Evelyn; Martínez-Martínez, Francisco Javier; González-González, Juan Saulo
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 10
• Pages of publication: 767 - 772
• a: 12.5854 ± 0.001 Å
• b: 10.0901 ± 0.0007 Å
• c: 19.8568 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.6 ± 0.3 ų
• Cell temperature: 293.15 ± 0.02 K
• Ambient diffraction temperature: 293.15 ± 0.02 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No