Information card for entry 2009553

Structure parameters

• Chemical name: Bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxamide
• Formula: C9 H10 N2 O2
• Calculated formula: C9 H10 N2 O2
• SMILES: NC(=O)C1=C(C(=O)N)[C@@H]2C[C@H]1C=C2
• Title of publication: Bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxamide, C~9~H~10~N~2~O~2~
• Authors of publication: Gourdon, André; Lainé, Philippe
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 414 - 415
• a: 5.984 ± 0.002 Å
• b: 11.703 ± 0.004 Å
• c: 12.559 ± 0.004 Å
• α: 90°
• β: 99.11 ± 0.02°
• γ: 90°
• Cell volume: 868.4 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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 significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No