Information card for entry 2022643

Structure parameters

• Chemical name: 4-Bromo-2-({(<i>E</i>)-2-[(<i>E</i>)-2,6-dichlorobenzylidene]hydrazin-1-ylidene}methyl)phenol
• Formula: C14 H9 Br Cl2 N2 O
• Calculated formula: C14 H9 Br Cl2 N2 O
• SMILES: Brc1ccc(O)c(c1)/C=N/N=C/c1c(Cl)cccc1Cl
• 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
• a: 16.451 ± 0.0012 Å
• b: 4.4314 ± 0.0003 Å
• c: 20.0523 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1461.83 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes