Information card for entry 2022642

Structure parameters

• Chemical name: 2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-Dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol
• Formula: C15 H12 Cl2 N2 O2
• Calculated formula: C15 H12 Cl2 N2 O2
• SMILES: Clc1c(/C=N/N=C/c2c(O)c(OC)ccc2)c(Cl)ccc1
• Title of publication: Crystal structures of two dis-symmetric di-Schiff base compounds: 2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)-6-methoxyphenol and 4-bromo-2-({(E)-2-[(E)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol
• Authors of publication: Manawar, Rohit B.; Pashavan, Chandankumar T.; Shah, Manish K.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica, Section E: Crystallographic Communications
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 6
• Pages of publication: 862 - 869
• a: 4.3556 ± 0.0002 Å
• b: 12.8548 ± 0.0004 Å
• c: 25.9904 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1455.21 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes