Information card for entry 7232095

Structure parameters

• Common name: 2-((8'-hydroxynaphthalen-1'-yl)methylene)malononitrile
• Formula: C14 H8 N2 O
• Calculated formula: C14 H8 N2 O
• Title of publication: O(−)⋯C interactions and bond formation in 1-naphtholate anions with peri-located electrophilic carbon centres
• Authors of publication: Bristow, Jonathan C.; Addicoat, Matthew A.; Wallis, John D.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1009
• a: 9.9169 ± 0.0005 Å
• b: 7.4879 ± 0.0002 Å
• c: 15.8768 ± 0.0006 Å
• α: 90°
• β: 108.096 ± 0.005°
• γ: 90°
• Cell volume: 1120.65 ± 0.08 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0729
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No