Information card for entry 8103089

Structure parameters

• Chemical name: 2-chloro-<i>N'</i>-(2-methoxybenzylidene)benzohydrazide, C~15~H~13~ClN~2~O~2~
• Formula: C15 H13 Cl N2 O2
• Calculated formula: C15 H13 Cl N2 O2
• SMILES: Clc1c(C(=O)NN=Cc2c(OC)cccc2)cccc1
• Title of publication: Crystal structure of 2-chloro-N'-(2-methoxy- benzylidene)benzohydrazide, C15H13ClN2O2
• Authors of publication: Yu-Mei Hao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 11
• a: 4.9555 ± 0.001 Å
• b: 11.54 ± 0.002 Å
• c: 12.782 ± 0.003 Å
• α: 107.587 ± 0.002°
• β: 95.724 ± 0.002°
• γ: 93.646 ± 0.002°
• Cell volume: 689.9 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No