Information card for entry 2206994

Structure parameters

• Common name: isonicotinamide‒formamide co-crystal
• Chemical name: isonicotinamide‒formamide (1/1)
• Formula: C7 H9 N3 O2
• Calculated formula: C7 H9 N3 O2
• SMILES: n1ccc(cc1)C(=O)N.C(=O)N
• Title of publication: Isonicotinamide‒formamide (1/1)
• Authors of publication: Iain D. H. Oswald; W. D. Sam Motherwell; Simon Parsons
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3161 - o3163
• a: 10.5785 ± 0.0018 Å
• b: 3.7461 ± 0.0006 Å
• c: 20.002 ± 0.003 Å
• α: 90°
• β: 94.587 ± 0.003°
• γ: 90°
• Cell volume: 790.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes