Information card for entry 8105431

Structure parameters

• Formula: C21 H28 N4 O4
• Calculated formula: C21 H28 N4 O4
• SMILES: c1(ccccc1C(=O)N/N=C/c1ccc(cc1O)OCCN1CCCCC1)N.O
• Title of publication: Crystal structure of (E)-2-amino-N′-(2-hydroxy-4-(2-(piperidin-1-yl)ethoxy)benzylidene)benzohydrazide monohydrate, C21H26N4O3 ⋅ H2O
• Authors of publication: Li, Li-Lang; Yu, Chang-Jin; Shi, Qing; Zhang, Qi-Long; Yang, Xian-Jiong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 5
• Pages of publication: 1239 - 1240
• a: 6.5543 ± 0.0012 Å
• b: 11.875 ± 0.002 Å
• c: 14.386 ± 0.003 Å
• α: 71.803 ± 0.003°
• β: 81.663 ± 0.003°
• γ: 89.928 ± 0.003°
• Cell volume: 1051.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No