Information card for entry 2240909

Structure parameters

• Common name: 2-[2-(Benzyloxy)benzylidene]malononitrile
• Chemical name: 2-{[2-(Benzyloxy)phenyl]methylidene}propanedinitrile
• Formula: C17 H12 N2 O
• Calculated formula: C17 H12 N2 O
• SMILES: O(Cc1ccccc1)c1ccccc1C=C(C#N)C#N
• Title of publication: Crystal structure of 2-[2-(benzyloxy)benzylidene]malononitrile
• Authors of publication: Yousuf, Sammer; Bano, Huma; Muhammad, Munira Taj; Khan, Khalid Mohammed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 8
• Pages of publication: o560 - o561
• a: 7.2959 ± 0.0009 Å
• b: 9.4963 ± 0.0012 Å
• c: 11.028 ± 0.0014 Å
• α: 97.709 ± 0.003°
• β: 107.953 ± 0.003°
• γ: 105.155 ± 0.003°
• Cell volume: 682.13 ± 0.15 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: 0.0726
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes