Information card for entry 2204491

Structure parameters

• Common name: (4-Ethynylphenyl)methoxymethanimine
• Chemical name: (4-Ethynylphenyl)methoxymethanimine
• Formula: C10 H9 N O
• Calculated formula: C10 H9 N O
• SMILES: O(C)C(=N)c1ccc(C#C)cc1
• Title of publication: (4-Ethynylphenyl)methoxymethanimine
• Authors of publication: Archan Dey; Rahul Banerjee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2117 - o2118
• a: 3.9367 ± 0.0005 Å
• b: 20.461 ± 0.003 Å
• c: 10.0799 ± 0.0013 Å
• α: 90°
• β: 94.512 ± 0.002°
• γ: 90°
• Cell volume: 809.41 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes