Information card for entry 7241471

Structure parameters

• Formula: C13 H18 N2 O3
• Calculated formula: C13 H18 N2 O3
• SMILES: O=C(N/N=C/c1ccccc1O)CCCCCO
• Title of publication: Effect of N-salicylidene hydrazide protonation on the solid state structural diversity of its Cu(ii), Ni(ii) and Zn(ii) complexes
• Authors of publication: Lago, Ana Belén; Pino-Cuevas, Arantxa; Carballo, Rosa; Vázquez-López, Ezequiel M.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 153 - 162
• a: 5.3989 ± 0.0003 Å
• b: 10.1581 ± 0.0005 Å
• c: 23.3868 ± 0.0012 Å
• α: 90°
• β: 90.508 ± 0.002°
• γ: 90°
• Cell volume: 1282.54 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.07
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.2082
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No