Information card for entry 2202032

Structure parameters

• Chemical name: [(2-methoxyanilino)methylene]malononitrile
• Formula: C11 H9 N3 O
• Calculated formula: C11 H9 N3 O
• SMILES: O(c1c(NC=C(C#N)C#N)cccc1)C
• Title of publication: [(2-Methoxyanilino)methylene]malononitrile
• Authors of publication: Vladimir N. Nesterov; Elena A. Viltchinskaia; Svitlana V. Nesterova
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o625 - o627
• a: 4.5893 ± 0.0018 Å
• b: 8.105 ± 0.004 Å
• c: 14.641 ± 0.007 Å
• α: 97.77 ± 0.04°
• β: 91.18 ± 0.04°
• γ: 103.48 ± 0.03°
• Cell volume: 524 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes