Information card for entry 2235197

Structure parameters

• Chemical name: 2-[4-(Benzyloxy)benzylidene]malononitrile
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: O(Cc1ccccc1)c1ccc(cc1)C=C(C#N)C#N
• Title of publication: 2-[4-(Benzyloxy)benzylidene]malononitrile
• Authors of publication: Gan, Hai-feng; Liu, Xue-wei; Fang, Zheng; Guo, Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1690
• a: 6.847 ± 0.0014 Å
• b: 9.627 ± 0.0019 Å
• c: 10.544 ± 0.002 Å
• α: 100.66 ± 0.03°
• β: 91.65 ± 0.03°
• γ: 94.26 ± 0.03°
• Cell volume: 680.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes