Information card for entry 7222081

Structure parameters

• Common name: 1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone
• Chemical name: 1-{3-[(2-Hydroxy-3-methoxy-benzylidene)-amino]-phenyl}-ethanone
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: Oc1c(cccc1OC)/C=N/c1cc(ccc1)C(=O)C
• Title of publication: Polymorphism control in the mechanochemical and solution-based synthesis of a thermochromic Schiff base
• Authors of publication: Zbačnik, Marija; Nogalo, Ivana; Cinčić, Dominik; Kaitner, Branko
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 7870
• a: 19.0009 ± 0.0019 Å
• b: 5.2814 ± 0.0009 Å
• c: 25.611 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2570.1 ± 0.7 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No