Information card for entry 7207561

Structure parameters

• Chemical name: N'-cyclohexylidene-4-hydroxybenzohydrazide'
• Formula: C13 H16 N2 O2
• Calculated formula: C13 H16 N2 O2
• SMILES: c1(ccc(cc1)C(=O)NN=C1CCCCC1)O
• Title of publication: A series of compounds forming polar crystals and showing single-crystal-to-single-crystal transitions between polar phases
• Authors of publication: Centore, Roberto; Jazbinsek, Mojca; Tuzi, Angela; Roviello, Antonio; Capobianco, Amedeo; Peluso, Andrea
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2645
• a: 9.818 ± 0.006 Å
• b: 10.485 ± 0.008 Å
• c: 11.333 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1166.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1047
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No