Information card for entry 2220515

Structure parameters

• Chemical name: <i>N</i>-[4-(Prop-2-ynyloxy)phenyl]maleimide
• Formula: C13 H9 N O3
• Calculated formula: C13 H9 N O3
• SMILES: C1=CC(=O)N(c2ccc(OCC#C)cc2)C1=O
• Title of publication: <i>N</i>-[4-(Prop-2-ynyloxy)phenyl]maleimide
• Authors of publication: Li, Zhan-Xian; Ren, Cai-Mei; Yang, Sen; Yao, Guang-Jun; Shi, Qiu-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o65
• a: 9.0428 ± 0.0018 Å
• b: 11.491 ± 0.002 Å
• c: 11.492 ± 0.002 Å
• α: 90°
• β: 102 ± 0.03°
• γ: 90°
• Cell volume: 1168 ± 0.4 ų
• Cell temperature: 292 ± 3 K
• Ambient diffraction temperature: 292 ± 3 K
• Number of distinct elements: 4
• 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: 0.1581
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes