Information card for entry 8107315

Structure parameters

• Formula: C14 H13 Cl N2 O4
• Calculated formula: C14 H13 Cl N2 O4
• Title of publication: Crystal structure of (E)-N′-(2-chloro-6-hydroxybenzylidene)-4- hydroxybenzohydrazide-water (1/1), C14H13Cl1N2O4
• Authors of publication: Liu, Kun; Han, Qiang; Zhao, Kai-Hui; Zhong, Qi-Di; Zhang, Zhi-Fei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 6
• Pages of publication: 1135 - 1136
• a: 13.257 ± 0.005 Å
• b: 16.161 ± 0.004 Å
• c: 13.262 ± 0.003 Å
• α: 90°
• β: 97.47 ± 0.03°
• γ: 90°
• Cell volume: 2817.2 ± 1.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No