Information card for entry 2207728

Structure parameters

• Chemical name: 3-Benzoylmethyl-2-chloro-N-methylmaleimide
• Formula: C13 H10 Cl N O3
• Calculated formula: C13 H10 Cl N O3
• SMILES: N1(C(=O)C(=C(C1=O)Cl)CC(=O)c1ccccc1)C
• Title of publication: 3-Benzoylmethyl-2-chloro-<i>N</i>-methylmaleimide
• Authors of publication: An, Hui-Ying; Lu, Zhi-Feng; Shen, Yong-Miao; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o70 - o71
• a: 5.474 ± 0.002 Å
• b: 24.185 ± 0.003 Å
• c: 9.283 ± 0.002 Å
• α: 90°
• β: 98.78 ± 0.03°
• γ: 90°
• Cell volume: 1214.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0968
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes