Information card for entry 2219022

Structure parameters

• Formula: C18 H21 Cl N2 O5
• Calculated formula: C18 H21 Cl N2 O5
• SMILES: Clc1c(/C=N/NC(=O)c2cc(c(c(c2)OC)OC)OC)cccc1.CO
• Title of publication: <i>N</i>'-(2-Chlorobenzylidene)-3,4,5-trimethoxybenzohydrazide methanol solvate
• Authors of publication: He, Dao-Hang; Zhu, Yong-Chuang; Yang, Zhuo-Ru; Song, Shao-Yun; Chen, Qi-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1649
• a: 12.9356 ± 0.0007 Å
• b: 4.8718 ± 0.0003 Å
• c: 29.4119 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1853.53 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes