Information card for entry 4502997

Structure parameters

• Chemical name: N-(2-cyanophenyl)-2-hydroxy-1-naphthaldimine
• Formula: C18 H12 N2 O
• Calculated formula: C18 H12 N2 O
• SMILES: Oc1c(c2c(cc1)cccc2)/C=N/c1c(cccc1)C#N
• Title of publication: Solvent-Free Polymorphism Control in a Covalent Mechanochemical Reaction
• Authors of publication: Cinčić, Dominik; Brekalo, Ivana; Kaitner, Branko
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 44
• a: 4.9647 ± 0.0008 Å
• b: 18.738 ± 0.003 Å
• c: 15.175 ± 0.002 Å
• α: 90°
• β: 96.223 ± 0.014°
• γ: 90°
• Cell volume: 1403.4 ± 0.4 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1775
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No