Information card for entry 8103164

Structure parameters

• Formula: C17 H22 N4 O3
• Calculated formula: C17 H22 N4 O3
• SMILES: N(=C\c1c(cc(N(CC)CC)cc1)O)/NC(=O)c1cnccc1.O
• Title of publication: Crystal structure of (E)-N'-(4-(diethylamino)-2-hydroxybenzylidene)nicotinohydrazide — water (1:1), C17H20N4O2 · H2O
• Authors of publication: Xue-Wen Zhu; Ying-Jun Zhang; Chun-Xia Zhang; Heng-Yu Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 375
• a: 6.6858 ± 0.0003 Å
• b: 7.9713 ± 0.0003 Å
• c: 16.7515 ± 0.0006 Å
• α: 86.044 ± 0.002°
• β: 78.555 ± 0.002°
• γ: 74.218 ± 0.002°
• Cell volume: 841.92 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No