Information card for entry 2300501

Structure parameters

• Formula: C7 H10 N2 O2
• Calculated formula: C7 H10 N2 O2
• SMILES: C(=O)(C=C)NCNC(=O)C=C
• Title of publication: Structural investigation of <i>N</i>,<i>N</i>'-methylenebisacrylamide <i>via</i> X-ray diffraction assisted by crystal structure prediction
• Authors of publication: Graiff, Claudia; Pontiroli, Daniele; Bergamonti, Laura; Cavallari, Chiara; Lottici, Pier Paolo; Predieri, Giovanni
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 550 - 557
• a: 17.822 ± 0.012 Å
• b: 4.85 ± 0.003 Å
• c: 19.783 ± 0.014 Å
• α: 90°
• β: 102.37 ± 0.009°
• γ: 90°
• Cell volume: 1670.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1983
• Weighted residual factors for all reflections included in the refinement: 0.2281
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes