Information card for entry 8106714

Structure parameters

• Formula: C17 H21 N3 O5
• Calculated formula: C17 H21 N3 O5
• Title of publication: N′-(5-ethoxycarbonyl-3,4-dimethyl-pyrrol-2-yl-methylidene)-4-hydroxybenzohydrazide monohydrate, C17H21N3O5
• Authors of publication: Mao, Pan-Dong; Yan, Ling-Ling; Wu, Wei-Na; Cai, Hong-Xin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 899 - 900
• a: 9.2278 ± 0.0016 Å
• b: 15.093 ± 0.003 Å
• c: 12.698 ± 0.002 Å
• α: 90°
• β: 105.195 ± 0.012°
• γ: 90°
• Cell volume: 1706.7 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No